1-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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

C104H103Cl3F2N10O8 — CID 123708044

About 1-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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 123708044) has the molecular formula C104H103Cl3F2N10O8 and a molecular weight of 1765.38 g/mol. Its IUPAC name is 1-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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: 123708044
• Molecular Formula: C104H103Cl3F2N10O8
• Molecular Weight: 1765.38 g/mol
• Exact Mass: 1762.70
• IUPAC Name: 1-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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)N1CCc2[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3c2CC1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)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.C26H25N3O3/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;1-18(30)28-12-10-23-22-8-7-20(15-25(22)27-24(23)11-13-28)29-14-9-21(16-26(29)31)32-17-19-5-3-2-4-6-19/h7-15H,2-6,16H2,1H3;7-12,17H,2-6,13-16,18H2,1H3;7-15H,2-6,16H2,1H3;2-9,14-16,27H,10-13,17H2,1H3
• InChIKey: FQPRNKDOGFFBQZ-UHFFFAOYSA-N
• XLogP: 20.78
• TPSA: 168.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1765.38
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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 123708044) is 1-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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)N1CCc2[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3c2CC1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)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-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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 FQPRNKDOGFFBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O2.C26H30ClN3O.C26H24F2N2O2.C26H25N3O3/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;1-18(30)28-12-10-23-22-8-7-20(15-25(22)27-24(23)11-13-28)29-14-9-21(16-26(29)31)32-17-19-5-3-2-4-6-19/h7-15H,2-6,16H2,1H3;7-12,17H,2-6,13-16,18H2,1H3;7-15H,2-6,16H2,1H3;2-9,14-16,27H,10-13,17H2,1H3.

What are the key properties of 1-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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 1765.38 g/mol, XLogP of 20.78, 16 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-acetyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-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-[(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 123708044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).