Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

Contact Supplier

TransoPharm USA works in the Sourcing and Management of Active Pharmaceutical Ingredients.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

3 Drugs in Development

3 Drugs in Development

DIGITAL CONTENT

3 NEWS #PharmaBuzz

media
3 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

3DRUGS 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: Btrx-335140, 2244614-14-8, Cym-53093, Xk5ilz28ki, 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-n-(tetrahydro-2h-pyran-4-yl)piperidin-4 amine, 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-n-(tetrahydro-2h-pyran-4-yl)piperidin-4-amine

Molecular Formula

C₂₅H₃₂FN₅O₂

Molecular Weight

453.6 g/mol

InChI Key

CQOJHAJWCDJEAT-UHFFFAOYSA-N

FDA UNII

XK5ILZ28KI

BTRX-335140 is under investigation in clinical trial NCT04221230 (Study in Major Depressive Disorder With BTRX-335140 vs Placebo).

1 2D Structure

Navacaprant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

2.1.2 InChI

InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3

2.1.3 InChI Key

CQOJHAJWCDJEAT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=CC2=C(C(=C(N=C2C(=C1)F)N3CCC(CC3)NC4CCOCC4)C5=NC(=NO5)C)C

2.2 Other Identifiers

2.2.1 UNII

XK5ILZ28KI

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)- N-(tetrahydro-2 H-pyran-4-yl)piperidin-4 Amine

2. Btrx-335140

3. Cym-53093

2.3.2 Depositor-Supplied Synonyms

1. Btrx-335140

2. 2244614-14-8

3. Cym-53093

4. Xk5ilz28ki

5. 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-n-(tetrahydro-2h-pyran-4-yl)piperidin-4 Amine

6. 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-n-(tetrahydro-2h-pyran-4-yl)piperidin-4-amine

7. 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-n-(oxan-4-yl)piperidin-4-amine

8. 4-piperidinamine, 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl)-n-(tetrahydro-2h-pyran-4-yl)-

9. Unii-xk5ilz28ki

10. Nmra-140

11. Chembl4592045

12. Schembl20670520

13. Gtpl10452

14. Btrx335140

15. Dtxsid401104655

16. Bcp32121

17. Cym53093

18. Ex-a5654

19. Bdbm50531908

20. Compound 58 [pmid: 30707578]

21. Hy-124754

22. Cs-0087593

23. Btrx 335140; Btrx335140; Cym-53093; Cym 53093; Cym53093

2.4 Create Date

2019-03-16

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₂FN₅O₂
Molecular Weight	453.6 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	453.25400344 g/mol
Monoisotopic Mass	453.25400344 g/mol
Topological Polar Surface Area	76.3 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	630
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