4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C34H34FN3O2S — CID 177220799

About 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 177220799) has the molecular formula C34H34FN3O2S and a molecular weight of 567.73 g/mol. Its IUPAC name is 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• PubChem CID: 177220799
• Molecular Formula: C34H34FN3O2S
• Molecular Weight: 567.73 g/mol
• Exact Mass: 567.24
• IUPAC Name: 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• SMILES: CC(C)Cc1nc2c(c(-c3ccc(C(=O)NC4CCc5ccccc54)s3)c1C(N)=O)CCC2Cc1ccc(F)cc1
• InChI: InChI=1S/C34H34FN3O2S/c1-19(2)17-27-31(33(36)39)30(25-13-9-22(32(25)37-27)18-20-7-11-23(35)12-8-20)28-15-16-29(41-28)34(40)38-26-14-10-21-5-3-4-6-24(21)26/h3-8,11-12,15-16,19,22,26H,9-10,13-14,17-18H2,1-2H3,(H2,36,39)(H,38,40)
• InChIKey: XQCUWPATHRMEBU-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 85.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.73
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The IUPAC name of 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 177220799) is 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

What is the SMILES notation for 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The canonical SMILES for 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CC(C)Cc1nc2c(c(-c3ccc(C(=O)NC4CCc5ccccc54)s3)c1C(N)=O)CCC2Cc1ccc(F)cc1.

What is the InChIKey of 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The InChIKey is XQCUWPATHRMEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN3O2S/c1-19(2)17-27-31(33(36)39)30(25-13-9-22(32(25)37-27)18-20-7-11-23(35)12-8-20)28-15-16-29(41-28)34(40)38-26-14-10-21-5-3-4-6-24(21)26/h3-8,11-12,15-16,19,22,26H,9-10,13-14,17-18H2,1-2H3,(H2,36,39)(H,38,40).

What are the key properties of 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 567.73 g/mol, XLogP of 6.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2,3-dihydro-1H-inden-1-ylcarbamoyl)thiophen-2-yl]-7-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 177220799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).