1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one

C129H128Cl4F2N14O9 — CID 158340186

About 1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one

1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one (PubChem CID 158340186) has the molecular formula C129H128Cl4F2N14O9 and a molecular weight of 2198.34 g/mol. Its IUPAC name is 1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one
• PubChem CID: 158340186
• Molecular Formula: C129H128Cl4F2N14O9
• Molecular Weight: 2198.34 g/mol
• Exact Mass: 2194.87
• IUPAC Name: 1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one
• SMILES: CC(=O)N1CCCc2c(c3ccc(-n4ccc(-c5ccc(C)nc5)cc4=O)cc3n2C)C1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc31)CCCCC2
• InChI: InChI=1S/C26H24Cl2N2O2.C26H30ClN3O.C26H24F2N2O2.C26H26N4O2.C25H24ClN3O2/c1-29-24-6-4-2-3-5-21(24)22-10-9-19(14-25(22)29)30-12-11-20(15-26(30)31)32-16-17-7-8-18(27)13-23(17)28;1-28-24-6-4-2-3-5-22(24)23-12-11-21(17-25(23)28)30-16-15-29(18-26(30)31)14-13-19-7-9-20(27)10-8-19;1-29-24-6-4-2-3-5-21(24)22-10-9-19(14-25(22)29)30-12-11-20(15-26(30)31)32-16-17-7-8-18(27)13-23(17)28;1-17-6-7-20(15-27-17)19-10-12-30(26(32)13-19)21-8-9-22-23-16-29(18(2)31)11-4-5-24(23)28(3)25(22)14-21;1-28-23-6-4-2-3-5-21(23)22-10-9-19(13-24(22)28)29-12-11-20(14-25(29)30)31-16-18-8-7-17(26)15-27-18/h7-15H,2-6,16H2,1H3;7-12,17H,2-6,13-16,18H2,1H3;7-15H,2-6,16H2,1H3;6-10,12-15H,4-5,11,16H2,1-3H3;7-15H,2-6,16H2,1H3
• InChIKey: GRBIWNVAXKGWPP-UHFFFAOYSA-N
• XLogP: 26.15
• TPSA: 209.98 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2198.34
LogP ≤ 5	26.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one?

The IUPAC name of 1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one (CID 158340186) is 1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one.

What is the SMILES notation for 1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one?

The canonical SMILES for 1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one is CC(=O)N1CCCc2c(c3ccc(-n4ccc(-c5ccc(C)nc5)cc4=O)cc3n2C)C1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc31)CCCCC2.

What is the InChIKey of 1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one?

The InChIKey is GRBIWNVAXKGWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O2.C26H30ClN3O.C26H24F2N2O2.C26H26N4O2.C25H24ClN3O2/c1-29-24-6-4-2-3-5-21(24)22-10-9-19(14-25(22)29)30-12-11-20(15-26(30)31)32-16-17-7-8-18(27)13-23(17)28;1-28-24-6-4-2-3-5-22(24)23-12-11-21(17-25(23)28)30-16-15-29(18-26(30)31)14-13-19-7-9-20(27)10-8-19;1-29-24-6-4-2-3-5-21(24)22-10-9-19(14-25(22)29)30-12-11-20(15-26(30)31)32-16-17-7-8-18(27)13-23(17)28;1-17-6-7-20(15-27-17)19-10-12-30(26(32)13-19)21-8-9-22-23-16-29(18(2)31)11-4-5-24(23)28(3)25(22)14-21;1-28-23-6-4-2-3-5-21(23)22-10-9-19(13-24(22)28)29-12-11-20(14-25(29)30)31-16-18-8-7-17(26)15-27-18/h7-15H,2-6,16H2,1H3;7-12,17H,2-6,13-16,18H2,1H3;7-15H,2-6,16H2,1H3;6-10,12-15H,4-5,11,16H2,1-3H3;7-15H,2-6,16H2,1H3.

What are the key properties of 1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one?

1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one has a molecular weight of 2198.34 g/mol, XLogP of 26.15, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-acetyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one;4-[2-(4-chlorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-dichlorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one is sourced from PubChem (CID 158340186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).