(3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C35H37F2N5O5 — CID 167578654

About (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167578654) has the molecular formula C35H37F2N5O5 and a molecular weight of 645.71 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167578654
• Molecular Formula: C35H37F2N5O5
• Molecular Weight: 645.71 g/mol
• Exact Mass: 645.28
• IUPAC Name: (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: Cc1cnc2c(NC(=O)NCC(C)(C)F)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2c1
• InChI: InChI=1S/C35H37F2N5O5/c1-19-12-22-13-21(14-25(28(22)39-16-19)41-32(45)40-17-33(2,3)37)26(43)10-11-35(5,46)27-15-24-30(47-18-34(24,4)31(38)44)29(42-27)20-6-8-23(36)9-7-20/h6-9,12-16,46H,10-11,17-18H2,1-5H3,(H2,38,44)(H2,40,41,45)/t34-,35-/m0/s1
• InChIKey: GWHHUTLTYLKZOE-PXLJZGITSA-N
• XLogP: 5.62
• TPSA: 156.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.71
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167578654) is (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is Cc1cnc2c(NC(=O)NCC(C)(C)F)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2c1.

What is the InChIKey of (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is GWHHUTLTYLKZOE-PXLJZGITSA-N. The full InChI is InChI=1S/C35H37F2N5O5/c1-19-12-22-13-21(14-25(28(22)39-16-19)41-32(45)40-17-33(2,3)37)26(43)10-11-35(5,46)27-15-24-30(47-18-34(24,4)31(38)44)29(42-27)20-6-8-23(36)9-7-20/h6-9,12-16,46H,10-11,17-18H2,1-5H3,(H2,38,44)(H2,40,41,45)/t34-,35-/m0/s1.

What are the key properties of (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 645.71 g/mol, XLogP of 5.62, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-5-[8-[(2-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167578654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).