(3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C33H29F2N5O4S — CID 164910762

About (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164910762) has the molecular formula C33H29F2N5O4S and a molecular weight of 629.69 g/mol. Its IUPAC name is (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 164910762
• Molecular Formula: C33H29F2N5O4S
• Molecular Weight: 629.69 g/mol
• Exact Mass: 629.19
• IUPAC Name: (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@]1(C(N)=O)COc2c1cc([C@@](O)(CNC(=O)c1cc(F)c3nn(C4CC4)cc3c1)C1CC1)nc2-c1csc2c(F)cccc12
• InChI: InChI=1S/C33H29F2N5O4S/c1-32(31(36)42)15-44-28-22(32)11-25(38-27(28)21-13-45-29-20(21)3-2-4-23(29)34)33(43,18-5-6-18)14-37-30(41)16-9-17-12-40(19-7-8-19)39-26(17)24(35)10-16/h2-4,9-13,18-19,43H,5-8,14-15H2,1H3,(H2,36,42)(H,37,41)/t32-,33+/m0/s1
• InChIKey: FPLNRBAWYKPWOD-JHOUSYSJSA-N
• XLogP: 5.09
• TPSA: 132.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.69
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164910762) is (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@]1(C(N)=O)COc2c1cc([C@@](O)(CNC(=O)c1cc(F)c3nn(C4CC4)cc3c1)C1CC1)nc2-c1csc2c(F)cccc12.

What is the InChIKey of (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is FPLNRBAWYKPWOD-JHOUSYSJSA-N. The full InChI is InChI=1S/C33H29F2N5O4S/c1-32(31(36)42)15-44-28-22(32)11-25(38-27(28)21-13-45-29-20(21)3-2-4-23(29)34)33(43,18-5-6-18)14-37-30(41)16-9-17-12-40(19-7-8-19)39-26(17)24(35)10-16/h2-4,9-13,18-19,43H,5-8,14-15H2,1H3,(H2,36,42)(H,37,41)/t32-,33+/m0/s1.

What are the key properties of (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 629.69 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-fluoroindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164910762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).