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

C33H30ClF2N7O5 — CID 170408509

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

(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 170408509) has the molecular formula C33H30ClF2N7O5 and a molecular weight of 678.10 g/mol. Its IUPAC name is (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 170408509
• Molecular Formula: C33H30ClF2N7O5
• Molecular Weight: 678.10 g/mol
• Exact Mass: 677.20
• IUPAC Name: (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4cc(Cl)c(F)cc4F)n2)OC[C@]3(C)C(N)=O)c2nccn2C)cc2cn(C3CC3)nc12
• InChI: InChI=1S/C33H30ClF2N7O5/c1-32(30(37)45)15-48-28-20(32)11-25(40-27(28)19-10-21(34)23(36)12-22(19)35)33(46,31-38-6-7-42(31)2)14-39-29(44)16-8-17-13-43(18-4-5-18)41-26(17)24(9-16)47-3/h6-13,18,46H,4-5,14-15H2,1-3H3,(H2,37,45)(H,39,44)/t32-,33-/m0/s1
• InChIKey: JAPWBSVHHBQMKN-LQJZCPKCSA-N
• XLogP: 3.91
• TPSA: 159.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	678.10
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	3
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-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 170408509) is (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-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-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4cc(Cl)c(F)cc4F)n2)OC[C@]3(C)C(N)=O)c2nccn2C)cc2cn(C3CC3)nc12.

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

The InChIKey is JAPWBSVHHBQMKN-LQJZCPKCSA-N. The full InChI is InChI=1S/C33H30ClF2N7O5/c1-32(30(37)45)15-48-28-20(32)11-25(40-27(28)19-10-21(34)23(36)12-22(19)35)33(46,31-38-6-7-42(31)2)14-39-29(44)16-8-17-13-43(18-4-5-18)41-26(17)24(9-16)47-3/h6-13,18,46H,4-5,14-15H2,1-3H3,(H2,37,45)(H,39,44)/t32-,33-/m0/s1.

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

(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 678.10 g/mol, XLogP of 3.91, 9 rotatable bonds, 3 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-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 170408509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).