(3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C34H34F2N4O4 — CID 169241416

About (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 169241416) has the molecular formula C34H34F2N4O4 and a molecular weight of 600.67 g/mol. Its IUPAC name is (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 169241416
• Molecular Formula: C34H34F2N4O4
• Molecular Weight: 600.67 g/mol
• Exact Mass: 600.25
• IUPAC Name: (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)NC[C@](C)(c2cc3c(c(-c4ccc(F)c(F)c4C)n2)OC[C@]3(C)C(N)=O)C2CC2)cc2cc(C)cnc12
• InChI: InChI=1S/C34H34F2N4O4/c1-17-10-19-11-20(12-25(43-5)28(19)38-14-17)31(41)39-15-33(3,21-6-7-21)26-13-23-30(44-16-34(23,4)32(37)42)29(40-26)22-8-9-24(35)27(36)18(22)2/h8-14,21H,6-7,15-16H2,1-5H3,(H2,37,42)(H,39,41)/t33-,34-/m0/s1
• InChIKey: FVRYLUHWJWTBEA-HEVIKAOCSA-N
• XLogP: 5.43
• TPSA: 116.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.67
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 169241416) is (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](C)(c2cc3c(c(-c4ccc(F)c(F)c4C)n2)OC[C@]3(C)C(N)=O)C2CC2)cc2cc(C)cnc12.

What is the InChIKey of (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is FVRYLUHWJWTBEA-HEVIKAOCSA-N. The full InChI is InChI=1S/C34H34F2N4O4/c1-17-10-19-11-20(12-25(43-5)28(19)38-14-17)31(41)39-15-33(3,21-6-7-21)26-13-23-30(44-16-34(23,4)32(37)42)29(40-26)22-8-9-24(35)27(36)18(22)2/h8-14,21H,6-7,15-16H2,1-5H3,(H2,37,42)(H,39,41)/t33-,34-/m0/s1.

What are the key properties of (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 600.67 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 169241416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).