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

Virtual Booth

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

12 Drugs in Development

12 Drugs in Development

DIGITAL CONTENT

1 NEWS #PharmaBuzz

media
1 NEWS #PharmaBuzz

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

12DRUGS 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: Msc2360844, 1305267-37-1, Ioa244, Ioa-244, 6k8fc2tf54, Msc-2360844

Molecular Formula

C₂₆H₂₇FN₄O₅S

Molecular Weight

526.6 g/mol

InChI Key

NFHSJYKXENYICE-UHFFFAOYSA-N

FDA UNII

6K8FC2TF54

1 2D Structure

Roginolisib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[6-fluoro-1-[4-(morpholin-4-ylmethyl)phenyl]-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazol-3-yl]-morpholin-4-ylmethanone

2.1.2 InChI

InChI=1S/C26H27FN4O5S/c27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-6-4-18(5-7-19)16-29-8-12-35-13-9-29/h1-7H,8-17H2

2.1.3 InChI Key

NFHSJYKXENYICE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCCN1CC2=CC=C(C=C2)N3C4=C(CS(=O)(=O)C5=C4C=CC=C5F)C(=N3)C(=O)N6CCOCC6

2.2 Other Identifiers

2.2.1 UNII

6K8FC2TF54

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Msc2360844

2. 1305267-37-1

3. Ioa244

4. Ioa-244

5. 6k8fc2tf54

6. Msc-2360844

7. [6-fluoro-1-[4-(morpholin-4-ylmethyl)phenyl]-5,5-dioxo-4h-thiochromeno[4,3-c]pyrazol-3-yl]-morpholin-4-ylmethanone

8. (6-fluoro-1,4-dihydro-1-(4-(4-morpholinylmethyl)phenyl)-5,5-dioxido(1)benzothiopyrano(4,3-c)pyrazol-3-yl)-4-morpholinylmethanone

9. [6-fluoro-1,4-dihydro-1-[4-(4-morpholinylmethyl)phenyl]-5,5-dioxido[1]benzothiopyrano[4,3-c]pyrazol-3-yl]-4-morpholinylmethanone

10. 6-fluoro-1-(4-((morpholin-4-yl)methyl)phenyl)-3-(morpholine-4-carbonyl)-1h,4h-5lambda6-thiochromeno(4,3-c)pyrazole-5,5-dione

11. 6-fluoro-1-{4-[(morpholin-4-yl)methyl]phenyl}-3-(morpholine-4-carbonyl)-1h,4h-5lambda6-thiochromeno[4,3-c]pyrazole-5,5-dione

12. Methanone, (6-fluoro-1,4-dihydro-1-(4-(4-morpholinylmethyl)phenyl)-5,5-dioxido(1)benzothiopyrano(4,3-c)pyrazol-3-yl)-4-morpholinyl-

13. Methanone, [6-fluoro-1,4-dihydro-1-[4-(4-morpholinylmethyl)phenyl]-5,5-dioxido[1]benzothiopyrano[4,3-c]pyrazol-3-yl]-4-morpholinyl-

14. Unii-6k8fc2tf54

15. Schembl12849

16. Chembl3683575

17. Bdbm169989

18. Nsc827886

19. Nsc-827886

20. Hy-135827

21. Cs-0114316

22. Us9073940, 339

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₇FN₄O₅S
Molecular Weight	526.6 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	526.16861931 g/mol
Monoisotopic Mass	526.16861931 g/mol
Topological Polar Surface Area	102 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	914
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1