(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C35H31Cl2N5O5 — CID 170407532

About (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 170407532) has the molecular formula C35H31Cl2N5O5 and a molecular weight of 672.57 g/mol. Its IUPAC name is (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 170407532
• Molecular Formula: C35H31Cl2N5O5
• Molecular Weight: 672.57 g/mol
• Exact Mass: 671.17
• IUPAC Name: (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)NC[C@@](O)(c2ccccc2)c2cc3c(c(-c4cccc(Cl)c4Cl)n2)OC[C@]3(C)C(N)=O)cc2cn(C3CC3)nc12
• InChI: InChI=1S/C35H31Cl2N5O5/c1-34(33(38)44)18-47-31-24(34)15-27(40-30(31)23-9-6-10-25(36)28(23)37)35(45,21-7-4-3-5-8-21)17-39-32(43)19-13-20-16-42(22-11-12-22)41-29(20)26(14-19)46-2/h3-10,13-16,22,45H,11-12,17-18H2,1-2H3,(H2,38,44)(H,39,43)/t34-,35+/m0/s1
• InChIKey: YMOZWHWVLRTJQO-OIDHKYIRSA-N
• XLogP: 5.55
• TPSA: 141.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.57
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 170407532) is (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@@](O)(c2ccccc2)c2cc3c(c(-c4cccc(Cl)c4Cl)n2)OC[C@]3(C)C(N)=O)cc2cn(C3CC3)nc12.

What is the InChIKey of (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is YMOZWHWVLRTJQO-OIDHKYIRSA-N. The full InChI is InChI=1S/C35H31Cl2N5O5/c1-34(33(38)44)18-47-31-24(34)15-27(40-30(31)23-9-6-10-25(36)28(23)37)35(45,21-7-4-3-5-8-21)17-39-32(43)19-13-20-16-42(22-11-12-22)41-29(20)26(14-19)46-2/h3-10,13-16,22,45H,11-12,17-18H2,1-2H3,(H2,38,44)(H,39,43)/t34-,35+/m0/s1.

What are the key properties of (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 672.57 g/mol, XLogP of 5.55, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 170407532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).