1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one

C₁₈₆H₁₈₄Cl₂N₁₈O₁₃ — CID 159566996

About 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one

1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 159566996) has the molecular formula C₁₈₆H₁₈₄Cl₂N₁₈O₁₃ and a molecular weight of 2950.54 g/mol. Its IUPAC name is 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one
• PubChem CID: 159566996
• Molecular Formula: C₁₈₆H₁₈₄Cl₂N₁₈O₁₃
• Molecular Weight: 2950.54 g/mol
• Exact Mass: 2947.37
• IUPAC Name: 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one
• SMILES: CCCN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cc1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cc1.Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN(C(=O)C1CCCC1)C2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN(C(=O)CN1CCCC1)C2
• InChI: InChI=1S/C30H32N4O3.C30H31N3O3.C27H29N3O2.C25H24N2O2.2C25H24N2O.C24H20Cl2N2O/c1-31-27-17-23(34-16-11-24(18-29(34)35)37-21-22-7-3-2-4-8-22)9-10-25(27)26-12-15-33(19-28(26)31)30(36)20-32-13-5-6-14-32;1-31-27-17-23(33-16-13-24(18-29(33)34)36-20-21-7-3-2-4-8-21)11-12-25(27)26-14-15-32(19-28(26)31)30(35)22-9-5-6-10-22;1-3-13-29-14-12-24-23-10-9-21(16-25(23)28(2)26(24)18-29)30-15-11-22(17-27(30)31)32-19-20-7-5-4-6-8-20;1-26-23-10-6-5-9-21(23)22-12-11-19(15-24(22)26)27-14-13-20(16-25(27)28)29-17-18-7-3-2-4-8-18;2*1-17-7-9-18(10-8-17)19-13-14-27(25(28)15-19)20-11-12-22-21-5-3-4-6-23(21)26(2)24(22)16-20;1-27-22-5-3-2-4-19(22)20-9-7-17(14-23(20)27)28-11-10-15(12-24(28)29)18-8-6-16(25)13-21(18)26/h2-4,7-11,16-18H,5-6,12-15,19-21H2,1H3;2-4,7-8,11-13,16-18,22H,5-6,9-10,14-15,19-20H2,1H3;4-11,15-17H,3,12-14,18-19H2,1-2H3;2-4,7-8,11-16H,5-6,9-10,17H2,1H3;2*7-16H,3-6H2,1-2H3;6-14H,2-5H2,1H3
• InChIKey: MHIDXADQKXDOCW-UHFFFAOYSA-N
• XLogP: 34.88
• TPSA: 272.53 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2950.54
LogP ≤ 5	34.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one?

The IUPAC name of 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one (CID 159566996) is 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one.

What is the SMILES notation for 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one?

The canonical SMILES for 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one is CCCN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cc1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cc1.Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN(C(=O)C1CCCC1)C2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN(C(=O)CN1CCCC1)C2.

What is the InChIKey of 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one?

The InChIKey is MHIDXADQKXDOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3.C30H31N3O3.C27H29N3O2.C25H24N2O2.2C25H24N2O.C24H20Cl2N2O/c1-31-27-17-23(34-16-11-24(18-29(34)35)37-21-22-7-3-2-4-8-22)9-10-25(27)26-12-15-33(19-28(26)31)30(36)20-32-13-5-6-14-32;1-31-27-17-23(33-16-13-24(18-29(33)34)36-20-21-7-3-2-4-8-21)11-12-25(27)26-14-15-32(19-28(26)31)30(35)22-9-5-6-10-22;1-3-13-29-14-12-24-23-10-9-21(16-25(23)28(2)26(24)18-29)30-15-11-22(17-27(30)31)32-19-20-7-5-4-6-8-20;1-26-23-10-6-5-9-21(23)22-12-11-19(15-24(22)26)27-14-13-20(16-25(27)28)29-17-18-7-3-2-4-8-18;2*1-17-7-9-18(10-8-17)19-13-14-27(25(28)15-19)20-11-12-22-21-5-3-4-6-23(21)26(2)24(22)16-20;1-27-22-5-3-2-4-19(22)20-9-7-17(14-23(20)27)28-11-10-15(12-24(28)29)18-8-6-16(25)13-21(18)26/h2-4,7-11,16-18H,5-6,12-15,19-21H2,1H3;2-4,7-8,11-13,16-18,22H,5-6,9-10,14-15,19-20H2,1H3;4-11,15-17H,3,12-14,18-19H2,1-2H3;2-4,7-8,11-16H,5-6,9-10,17H2,1H3;2*7-16H,3-6H2,1-2H3;6-14H,2-5H2,1H3.

What are the key properties of 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one?

1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one has a molecular weight of 2950.54 g/mol, XLogP of 34.88, 27 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(cyclopentanecarbonyl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;4-(2,4-dichlorophenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(4-methylphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);1-(9-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[9-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 159566996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159566996 — identifiers, structure, computed properties (public domain)

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