1-(3-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one

C131H135F2N15O9 — CID 158613307

About 1-(3-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one

1-(3-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 158613307) has the molecular formula C131H135F2N15O9 and a molecular weight of 2101.61 g/mol. Its IUPAC name is 1-(3-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

• Compound Name: 1-(3-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one
• PubChem CID: 158613307
• Molecular Formula: C131H135F2N15O9
• Molecular Weight: 2101.61 g/mol
• Exact Mass: 2100.05
• IUPAC Name: 1-(3-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one
• SMILES: CC(C)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc23)CC1.CC(C)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1.CCN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1.Cc1ccc(-c2ccn(-c3ccc4c5c([nH]c4c3)CCCCC5)c(=O)c2)cc1.O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCCCC3
• InChI: InChI=1S/C28H31N3O2.C27H29FN4O2.C27H29N3O2.C25H24N2O.C24H22FN3O2/c1-20(2)30-14-12-25-24-10-9-22(17-27(24)29(3)26(25)13-15-30)31-16-11-23(18-28(31)32)33-19-21-7-5-4-6-8-21;1-18(2)31-11-9-24-23-7-6-21(14-26(23)30(3)25(24)10-12-31)32-13-8-22(15-27(32)33)34-17-20-5-4-19(28)16-29-20;1-3-29-14-12-24-23-10-9-21(17-26(23)28(2)25(24)13-15-29)30-16-11-22(18-27(30)31)32-19-20-7-5-4-6-8-20;1-17-7-9-18(10-8-17)19-13-14-27(25(28)15-19)20-11-12-22-21-5-3-2-4-6-23(21)26-24(22)16-20;25-16-6-7-17(26-14-16)15-30-19-10-11-28(24(29)13-19)18-8-9-21-20-4-2-1-3-5-22(20)27-23(21)12-18/h4-11,16-18,20H,12-15,19H2,1-3H3;4-8,13-16,18H,9-12,17H2,1-3H3;4-11,16-18H,3,12-15,19H2,1-2H3;7-16,26H,2-6H2,1H3;6-14,27H,1-5,15H2
• InChIKey: HXCFSOZYGOUBCY-UHFFFAOYSA-N
• XLogP: 23.56
• TPSA: 228.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2101.61
LogP ≤ 5	23.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

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-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one?

The IUPAC name of 1-(3-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one (CID 158613307) is 1-(3-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one.

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

The canonical SMILES for 1-(3-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one is CC(C)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc23)CC1.CC(C)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1.CCN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1.Cc1ccc(-c2ccn(-c3ccc4c5c([nH]c4c3)CCCCC5)c(=O)c2)cc1.O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCCCC3.

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

The InChIKey is HXCFSOZYGOUBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2.C27H29FN4O2.C27H29N3O2.C25H24N2O.C24H22FN3O2/c1-20(2)30-14-12-25-24-10-9-22(17-27(24)29(3)26(25)13-15-30)31-16-11-23(18-28(31)32)33-19-21-7-5-4-6-8-21;1-18(2)31-11-9-24-23-7-6-21(14-26(23)30(3)25(24)10-12-31)32-13-8-22(15-27(32)33)34-17-20-5-4-19(28)16-29-20;1-3-29-14-12-24-23-10-9-21(17-26(23)28(2)25(24)13-15-29)30-16-11-22(18-27(30)31)32-19-20-7-5-4-6-8-20;1-17-7-9-18(10-8-17)19-13-14-27(25(28)15-19)20-11-12-22-21-5-3-2-4-6-23(21)26-24(22)16-20;25-16-6-7-17(26-14-16)15-30-19-10-11-28(24(29)13-19)18-8-9-21-20-4-2-1-3-5-22(20)27-23(21)12-18/h4-11,16-18,20H,12-15,19H2,1-3H3;4-8,13-16,18H,9-12,17H2,1-3H3;4-11,16-18H,3,12-15,19H2,1-2H3;7-16,26H,2-6H2,1H3;6-14,27H,1-5,15H2.

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

1-(3-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one has a molecular weight of 2101.61 g/mol, XLogP of 23.56, 21 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one;1-(5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)-4-(4-methylphenyl)pyridin-2-one;1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 158613307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).