3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide

C31H22ClF5N4O3 — CID 156872656

About 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide

3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide (PubChem CID 156872656) has the molecular formula C31H22ClF5N4O3 and a molecular weight of 628.99 g/mol. Its IUPAC name is 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide
• PubChem CID: 156872656
• Molecular Formula: C31H22ClF5N4O3
• Molecular Weight: 628.99 g/mol
• Exact Mass: 628.13
• IUPAC Name: 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide
• SMILES: N#CC1(CF)COc2c1cc(C(CNC(=O)c1cc(OC3CC3)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C31H22ClF5N4O3/c32-19-8-17-7-18(9-25(26(17)39-11-19)44-21-5-6-21)29(42)40-12-23(31(35,36)37)24-10-22-28(43-15-30(22,13-33)14-38)27(41-24)16-1-3-20(34)4-2-16/h1-4,7-11,21,23H,5-6,12-13,15H2,(H,40,42)
• InChIKey: MEAXKUZPLLKJGL-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 97.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.99
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide?

The IUPAC name of 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide (CID 156872656) is 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide.

What is the SMILES notation for 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide?

The canonical SMILES for 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide is N#CC1(CF)COc2c1cc(C(CNC(=O)c1cc(OC3CC3)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide?

The InChIKey is MEAXKUZPLLKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22ClF5N4O3/c32-19-8-17-7-18(9-25(26(17)39-11-19)44-21-5-6-21)29(42)40-12-23(31(35,36)37)24-10-22-28(43-15-30(22,13-33)14-38)27(41-24)16-1-3-20(34)4-2-16/h1-4,7-11,21,23H,5-6,12-13,15H2,(H,40,42).

What are the key properties of 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide?

3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide has a molecular weight of 628.99 g/mol, XLogP of 6.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide is sourced from PubChem (CID 156872656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).