3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide

C74H78FN9O5 — CID 123800189

About 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide

3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide (PubChem CID 123800189) has the molecular formula C74H78FN9O5 and a molecular weight of 1192.49 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide
• PubChem CID: 123800189
• Molecular Formula: C74H78FN9O5
• Molecular Weight: 1192.49 g/mol
• Exact Mass: 1191.61
• IUPAC Name: 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide
• SMILES: CC(=O)/C=C/c1cc2c(cc1C)nc(C1(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC1)n2C.CCc1cc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C)c2cc1/C=C/C(C)=O
• InChI: InChI=1S/C37H38FN5O2.C37H40N4O3/c1-22-18-30-32(19-25(22)11-10-23(2)44)43(4)36(40-30)37(16-7-17-37)41-35(45)26-12-14-28-31(20-26)42(3)34(29-15-13-27(38)21-39-29)33(28)24-8-5-6-9-24;1-5-24-19-30-32(20-26(24)12-11-23(2)42)41(4)36(38-30)37(16-8-17-37)39-35(43)27-13-14-29-31(21-27)40(3)34(28-15-18-44-22-28)33(29)25-9-6-7-10-25/h10-15,18-21,24H,5-9,16-17H2,1-4H3,(H,41,45);11-15,18-22,25H,5-10,16-17H2,1-4H3,(H,39,43)/b11-10+;12-11+
• InChIKey: BOFILBXSCOEBSN-XNMASAPUSA-N
• XLogP: 15.60
• TPSA: 163.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1192.49
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide?

The IUPAC name of 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide (CID 123800189) is 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide.

What is the SMILES notation for 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide?

The canonical SMILES for 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide is CC(=O)/C=C/c1cc2c(cc1C)nc(C1(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC1)n2C.CCc1cc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccoc6)n(C)c5c4)CCC3)n(C)c2cc1/C=C/C(C)=O.

What is the InChIKey of 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide?

The InChIKey is BOFILBXSCOEBSN-XNMASAPUSA-N. The full InChI is InChI=1S/C37H38FN5O2.C37H40N4O3/c1-22-18-30-32(19-25(22)11-10-23(2)44)43(4)36(40-30)37(16-7-17-37)41-35(45)26-12-14-28-31(20-26)42(3)34(29-15-13-27(38)21-39-29)33(28)24-8-5-6-9-24;1-5-24-19-30-32(20-26(24)12-11-23(2)42)41(4)36(38-30)37(16-8-17-37)39-35(43)27-13-14-29-31(21-27)40(3)34(28-15-18-44-22-28)33(29)25-9-6-7-10-25/h10-15,18-21,24H,5-9,16-17H2,1-4H3,(H,41,45);11-15,18-22,25H,5-10,16-17H2,1-4H3,(H,39,43)/b11-10+;12-11+.

What are the key properties of 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide?

3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide has a molecular weight of 1192.49 g/mol, XLogP of 15.60, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[1-[1,5-dimethyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxamide;3-cyclopentyl-N-[1-[5-ethyl-1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-(furan-3-yl)-1-methylindole-6-carboxamide is sourced from PubChem (CID 123800189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).