Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

1 Drugs in Development

1 Drugs in Development

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

1DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Lenrispodun, 1160521-50-5, Iti-214, Iti-214 free base, Iti-214f, Lenrispodun [usan]

Molecular Formula

C₂₉H₂₆FN₇O

Molecular Weight

507.6 g/mol

InChI Key

BBIPVJCGIASXJB-PKTZIBPZSA-N

FDA UNII

3GBO34D1BE

ITI-214 is under investigation in clinical trial NCT03489772 (Study of ITI-214 in Healthy Volunteers to Determine CNS Engagement).

1 2D Structure

ITI214

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(11R,15S)-5-anilino-4-[[4-(6-fluoropyridin-2-yl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one

2.1.2 InChI

InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1

2.1.3 InChI Key

BBIPVJCGIASXJB-PKTZIBPZSA-N

2.1.4 Canonical SMILES

CN1C(=O)C2=C(N(N=C2N3C1=NC4C3CCC4)CC5=CC=C(C=C5)C6=NC(=CC=C6)F)NC7=CC=CC=C7

2.1.5 Isomeric SMILES

CN1C(=O)C2=C(N(N=C2N3C1=N[C@H]4[C@@H]3CCC4)CC5=CC=C(C=C5)C6=NC(=CC=C6)F)NC7=CC=CC=C7

2.2 Other Identifiers

2.2.1 UNII

3GBO34D1BE

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(4-(6-fluoropyridin-2-yl)benzyl)-5-methyl-3-(phenylamino)-5,6a,7,8,9,9a-hexahydrocyclopenta(4,5)imidazo(1,2-a)pyrazolo(4,3-e)pyrimidin-4-(2h)-one

2. Iti-214

2.3.2 Depositor-Supplied Synonyms

1. Lenrispodun

2. 1160521-50-5

3. Iti-214

4. Iti-214 Free Base

5. Iti-214f

6. Lenrispodun [usan]

7. Iti-214 (free Base)

8. 3gbo34d1be

9. Ic200214

10. Chembl3769414

11. Ic-200214

12. (11r,15s)-5-anilino-4-[[4-(6-fluoropyridin-2-yl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one

13. Iti214 (free Base)

14. (11r,15s)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one

15. Cyclopent(4,5)imidazo(1,2-a)pyrazolo(4,3-e)pyrimidin-4(2h)-one, 2-((4-(6-fluoro-2-pyridinyl)phenyl)methyl)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylamino)-, (6ar,9as)-

16. Pde1-in-1

17. Lenrispodun [inn]

18. Unii-3gbo34d1be

19. Pde4 (r)-(-)-rolipram

20. Schembl10201342

21. Gtpl12003

22. Bcp16186

23. Bdbm50150119

24. Who 11635

25. Zinc142626599

26. Compound 3 [pmid: 26789933]

27. Cs-3621

28. Db15039

29. (6ar,9as)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylamino)-2-((4-(6-fluoropyridin-2-yl)phenyl)methyl)-cyclopent[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2h)-one

30. (6ar,9as)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylamino)-2-((4-(6-fluoropyridin-2-yl)phenyl)methyl)cyclopent[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2h)-one

31. Hy-12501

32. Iti-214 Free Base;iti 214 Free Base

33. J3.605.616i

34. A858329

35. Q27454893

36. (6ar,9as)-2-((4-(6-fluoro-2-pyridinyl)phenyl)methyl)-5,6a,7,8,9,9ahexahydro- 5-methyl-3-(phenylamino)cyclopent(4,5)imidazo(1,2-a)pyrazolo(4,3- E)pyrimidin-4(2h)-one

37. (6ar,9as)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylamino)-2-((4-(6-fluoropyridin-2-yl)phenyl)methyl)-cyclopent[4,5]imidazo-[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2h)-one

2.4 Create Date

2009-07-15

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₂₆FN₇O
Molecular Weight	507.6 g/mol
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	507.21828664 g/mol
Monoisotopic Mass	507.21828664 g/mol
Topological Polar Surface Area	78.6 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	903
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1