4-[(4-chloro-2-fluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(3,5-dichloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methylpyridazin-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one

C126H125Cl3F2N18O9 — CID 158378320

About 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(3,5-dichloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methylpyridazin-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one

4-[(4-chloro-2-fluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(3,5-dichloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methylpyridazin-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one (PubChem CID 158378320) has the molecular formula C126H125Cl3F2N18O9 and a molecular weight of 2179.86 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(3,5-dichloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methylpyridazin-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(3,5-dichloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methylpyridazin-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one
• PubChem CID: 158378320
• Molecular Formula: C126H125Cl3F2N18O9
• Molecular Weight: 2179.86 g/mol
• Exact Mass: 2176.89
• IUPAC Name: 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(3,5-dichloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methylpyridazin-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one
• SMILES: CN1CCCc2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc3n2C)C1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCN(C)C5)c(=O)c2)nn1.Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CCCN(C)C5)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(Cl)cc5Cl)cc4=O)cc31)CCCCC2
• InChI: InChI=1S/C26H24ClFN2O2.C26H28N4O2.C25H23Cl2N3O2.C25H25FN4O2.C24H25N5O/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;1-18-6-7-19(15-27-18)17-32-21-10-12-30(26(31)14-21)20-8-9-22-23-16-28(2)11-4-5-24(23)29(3)25(22)13-20;1-29-23-6-4-2-3-5-19(23)20-8-7-17(12-24(20)29)30-10-9-18(13-25(30)31)32-15-22-21(27)11-16(26)14-28-22;1-28-10-3-4-23-22(15-28)21-8-7-19(12-24(21)29(23)2)30-11-9-20(13-25(30)31)32-16-18-6-5-17(26)14-27-18;1-16-6-9-21(26-25-16)17-10-12-29(24(30)13-17)18-7-8-19-20-15-27(2)11-4-5-22(20)28(3)23(19)14-18/h7-15H,2-6,16H2,1H3;6-10,12-15H,4-5,11,16-17H2,1-3H3;7-14H,2-6,15H2,1H3;5-9,11-14H,3-4,10,15-16H2,1-2H3;6-10,12-14H,4-5,11,15H2,1-3H3
• InChIKey: GVMBDOKDCHNHBO-UHFFFAOYSA-N
• XLogP: 23.13
• TPSA: 245.74 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2179.86
LogP ≤ 5	23.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(3,5-dichloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methylpyridazin-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one (CID 158378320) is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(3,5-dichloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methylpyridazin-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one.

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

The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(3,5-dichloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methylpyridazin-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one is CN1CCCc2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc3n2C)C1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCN(C)C5)c(=O)c2)nn1.Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CCCN(C)C5)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(Cl)cc5Cl)cc4=O)cc31)CCCCC2.

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

The InChIKey is GVMBDOKDCHNHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O2.C26H28N4O2.C25H23Cl2N3O2.C25H25FN4O2.C24H25N5O/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;1-18-6-7-19(15-27-18)17-32-21-10-12-30(26(31)14-21)20-8-9-22-23-16-28(2)11-4-5-24(23)29(3)25(22)13-20;1-29-23-6-4-2-3-5-19(23)20-8-7-17(12-24(20)29)30-10-9-18(13-25(30)31)32-15-22-21(27)11-16(26)14-28-22;1-28-10-3-4-23-22(15-28)21-8-7-19(12-24(21)29(23)2)30-11-9-20(13-25(30)31)32-16-18-6-5-17(26)14-27-18;1-16-6-9-21(26-25-16)17-10-12-29(24(30)13-17)18-7-8-19-20-15-27(2)11-4-5-22(20)28(3)23(19)14-18/h7-15H,2-6,16H2,1H3;6-10,12-15H,4-5,11,16-17H2,1-3H3;7-14H,2-6,15H2,1H3;5-9,11-14H,3-4,10,15-16H2,1-2H3;6-10,12-14H,4-5,11,15H2,1-3H3.

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

4-[(4-chloro-2-fluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(3,5-dichloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methylpyridazin-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one has a molecular weight of 2179.86 g/mol, XLogP of 23.13, 18 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(3,5-dichloro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-(6-methylpyridazin-3-yl)pyridin-2-one;1-(2,6-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(6-methyl-3-pyridinyl)methoxy]pyridin-2-one is sourced from PubChem (CID 158378320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).