(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C31H27ClF2N8O5 — CID 170407171

About (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 170407171) has the molecular formula C31H27ClF2N8O5 and a molecular weight of 665.06 g/mol. Its IUPAC name is (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 170407171
• Molecular Formula: C31H27ClF2N8O5
• Molecular Weight: 665.06 g/mol
• Exact Mass: 664.18
• IUPAC Name: (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)NC[C@](O)(c2cn[nH]n2)c2cc3c(c(-c4cc(Cl)c(F)cc4F)n2)OC[C@]3(C)C(N)=O)cc2cn(C3CC3)nc12
• InChI: InChI=1S/C31H27ClF2N8O5/c1-30(29(35)44)13-47-27-18(30)8-23(38-26(27)17-7-19(32)21(34)9-20(17)33)31(45,24-10-37-41-39-24)12-36-28(43)14-5-15-11-42(16-3-4-16)40-25(15)22(6-14)46-2/h5-11,16,45H,3-4,12-13H2,1-2H3,(H2,35,44)(H,36,43)(H,37,39,41)/t30-,31+/m0/s1
• InChIKey: PNPOYTIPEFEXNX-IOWSJCHKSA-N
• XLogP: 3.29
• TPSA: 183.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	665.06
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 170407171) is (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cn[nH]n2)c2cc3c(c(-c4cc(Cl)c(F)cc4F)n2)OC[C@]3(C)C(N)=O)cc2cn(C3CC3)nc12.

What is the InChIKey of (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is PNPOYTIPEFEXNX-IOWSJCHKSA-N. The full InChI is InChI=1S/C31H27ClF2N8O5/c1-30(29(35)44)13-47-27-18(30)8-23(38-26(27)17-7-19(32)21(34)9-20(17)33)31(45,24-10-37-41-39-24)12-36-28(43)14-5-15-11-42(16-3-4-16)40-25(15)22(6-14)46-2/h5-11,16,45H,3-4,12-13H2,1-2H3,(H2,35,44)(H,36,43)(H,37,39,41)/t30-,31+/m0/s1.

What are the key properties of (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 665.06 g/mol, XLogP of 3.29, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 170407171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).