1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one

C105H110FN11O7 — CID 157056034

About 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one

1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 157056034) has the molecular formula C105H110FN11O7 and a molecular weight of 1657.10 g/mol. Its IUPAC name is 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

• Compound Name: 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one
• PubChem CID: 157056034
• Molecular Formula: C105H110FN11O7
• Molecular Weight: 1657.10 g/mol
• Exact Mass: 1655.86
• IUPAC Name: 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one
• SMILES: C.CC(C)N1CCc2[nH]c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2CC1.CN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)cc1.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCCC2
• InChI: InChI=1S/C26H27FN4O2.C26H27N3O2.C26H26N2O2.C26H26N2O.CH4/c1-17(2)30-10-8-23-22-6-5-20(13-25(22)29-24(23)9-11-30)31-12-7-21(14-26(31)32)33-16-19-4-3-18(27)15-28-19;1-27-13-11-23-22-9-8-20(16-25(22)28(2)24(23)12-14-27)29-15-10-21(17-26(29)30)31-18-19-6-4-3-5-7-19;1-27-24-11-7-3-6-10-22(24)23-13-12-20(16-25(23)27)28-15-14-21(17-26(28)29)30-18-19-8-4-2-5-9-19;1-18-8-10-19(11-9-18)20-14-15-28(26(29)16-20)21-12-13-23-22-6-4-3-5-7-24(22)27(2)25(23)17-21;/h3-7,12-15,17,29H,8-11,16H2,1-2H3;3-10,15-17H,11-14,18H2,1-2H3;2,4-5,8-9,12-17H,3,6-7,10-11,18H2,1H3;8-17H,3-7H2,1-2H3;1H4
• InChIKey: AATNUZQGFXGXDL-UHFFFAOYSA-N
• XLogP: 19.57
• TPSA: 165.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1657.10
LogP ≤ 5	19.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one?

The IUPAC name of 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one (CID 157056034) is 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one.

What is the SMILES notation for 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one?

The canonical SMILES for 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one is C.CC(C)N1CCc2[nH]c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2CC1.CN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)cc1.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCCC2.

What is the InChIKey of 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one?

The InChIKey is AATNUZQGFXGXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2.C26H27N3O2.C26H26N2O2.C26H26N2O.CH4/c1-17(2)30-10-8-23-22-6-5-20(13-25(22)29-24(23)9-11-30)31-12-7-21(14-26(31)32)33-16-19-4-3-18(27)15-28-19;1-27-13-11-23-22-9-8-20(16-25(22)28(2)24(23)12-14-27)29-15-10-21(17-26(29)30)31-18-19-6-4-3-5-7-19;1-27-24-11-7-3-6-10-22(24)23-13-12-20(16-25(23)27)28-15-14-21(17-26(28)29)30-18-19-8-4-2-5-9-19;1-18-8-10-19(11-9-18)20-14-15-28(26(29)16-20)21-12-13-23-22-6-4-3-5-7-24(22)27(2)25(23)17-21;/h3-7,12-15,17,29H,8-11,16H2,1-2H3;3-10,15-17H,11-14,18H2,1-2H3;2,4-5,8-9,12-17H,3,6-7,10-11,18H2,1H3;8-17H,3-7H2,1-2H3;1H4.

What are the key properties of 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one?

1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one has a molecular weight of 1657.10 g/mol, XLogP of 19.57, 15 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;methane;4-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 157056034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).