2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide

C108H113ClN14O7 — CID 123493039

About 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide

2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide (PubChem CID 123493039) has the molecular formula C108H113ClN14O7 and a molecular weight of 1754.64 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide.

Molecular Properties

• Compound Name: 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide
• PubChem CID: 123493039
• Molecular Formula: C108H113ClN14O7
• Molecular Weight: 1754.64 g/mol
• Exact Mass: 1752.86
• IUPAC Name: 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide
• SMILES: C=C(C)c1c(C2CCCC2)c2ccc(C(=O)NC3(c4nc5ccc(/C=C/C(C)=O)cc5n4C)CCC3)cc2n1C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccc(Cl)cn6)n(C)c5c4)CC=CC3)n(C)c2c1.COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(c5nc6ccc(/C=C/C(C)=O)cc6n5C)CCC4)cc3n2C)n1
• InChI: InChI=1S/C37H36ClN5O2.C37H39N5O3.C34H38N4O2/c1-23(44)10-11-24-12-16-29-32(20-24)43(3)36(40-29)37(18-6-7-19-37)41-35(45)26-13-15-28-31(21-26)42(2)34(30-17-14-27(38)22-39-30)33(28)25-8-4-5-9-25;1-23(43)13-14-24-15-18-28-31(21-24)42(3)36(39-28)37(19-8-20-37)40-35(44)26-16-17-27-30(22-26)41(2)34(33(27)25-9-5-6-10-25)29-11-7-12-32(38-29)45-4;1-21(2)31-30(24-9-6-7-10-24)26-15-14-25(20-28(26)37(31)4)32(40)36-34(17-8-18-34)33-35-27-16-13-23(12-11-22(3)39)19-29(27)38(33)5/h6-7,10-17,20-22,25H,4-5,8-9,18-19H2,1-3H3,(H,41,45);7,11-18,21-22,25H,5-6,8-10,19-20H2,1-4H3,(H,40,44);11-16,19-20,24H,1,6-10,17-18H2,2-5H3,(H,36,40)/b11-10+;14-13+;12-11+
• InChIKey: BQJMQEMYILEDDX-CIRBTJBBSA-N
• XLogP: 22.39
• TPSA: 241.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1754.64
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide?

The IUPAC name of 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide (CID 123493039) is 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide.

What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide?

The canonical SMILES for 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide is C=C(C)c1c(C2CCCC2)c2ccc(C(=O)NC3(c4nc5ccc(/C=C/C(C)=O)cc5n4C)CCC3)cc2n1C.CC(=O)/C=C/c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6ccc(Cl)cn6)n(C)c5c4)CC=CC3)n(C)c2c1.COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(c5nc6ccc(/C=C/C(C)=O)cc6n5C)CCC4)cc3n2C)n1.

What is the InChIKey of 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide?

The InChIKey is BQJMQEMYILEDDX-CIRBTJBBSA-N. The full InChI is InChI=1S/C37H36ClN5O2.C37H39N5O3.C34H38N4O2/c1-23(44)10-11-24-12-16-29-32(20-24)43(3)36(40-29)37(18-6-7-19-37)41-35(45)26-13-15-28-31(21-26)42(2)34(30-17-14-27(38)22-39-30)33(28)25-8-4-5-9-25;1-23(43)13-14-24-15-18-28-31(21-24)42(3)36(39-28)37(19-8-20-37)40-35(44)26-16-17-27-30(22-26)41(2)34(33(27)25-9-5-6-10-25)29-11-7-12-32(38-29)45-4;1-21(2)31-30(24-9-6-7-10-24)26-15-14-25(20-28(26)37(31)4)32(40)36-34(17-8-18-34)33-35-27-16-13-23(12-11-22(3)39)19-29(27)38(33)5/h6-7,10-17,20-22,25H,4-5,8-9,18-19H2,1-3H3,(H,41,45);7,11-18,21-22,25H,5-6,8-10,19-20H2,1-4H3,(H,40,44);11-16,19-20,24H,1,6-10,17-18H2,2-5H3,(H,36,40)/b11-10+;14-13+;12-11+.

What are the key properties of 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide?

2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide has a molecular weight of 1754.64 g/mol, XLogP of 22.39, 22 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide is sourced from PubChem (CID 123493039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).