1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one

C153H150ClF4N21O12 — CID 159179232

About 1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one

1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one (PubChem CID 159179232) has the molecular formula C153H150ClF4N21O12 and a molecular weight of 2586.46 g/mol. Its IUPAC name is 1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)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-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one
• PubChem CID: 159179232
• Molecular Formula: C153H150ClF4N21O12
• Molecular Weight: 2586.46 g/mol
• Exact Mass: 2584.14
• IUPAC Name: 1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one
• SMILES: CC(=O)N1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)ccc23)CC1.CC(=O)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc23)CC1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)n2)cc1.Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)cn1.Cc1ccc(COc2cnn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CCCCC2
• InChI: InChI=1S/C26H23F3N4O2.C26H25FN4O3.C26H27N3O2.C25H24ClN3O2.C25H26N4O2.C25H25N3O/c1-16(34)32-10-8-21-20-5-4-19(14-23(20)31(2)22(21)9-11-32)33-12-7-17(13-25(33)35)18-3-6-24(30-15-18)26(27,28)29;1-17(32)30-10-8-23-22-6-5-20(13-25(22)29(2)24(23)9-11-30)31-12-7-21(14-26(31)33)34-16-19-4-3-18(27)15-28-19;1-18-8-9-19(16-27-18)17-31-21-12-13-29(26(30)15-21)20-10-11-23-22-6-4-3-5-7-24(22)28(2)25(23)14-20;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;1-17-8-9-18(14-26-17)16-31-20-13-25(30)29(27-15-20)19-10-11-22-21-6-4-3-5-7-23(21)28(2)24(22)12-19;1-17-8-10-18(11-9-17)22-14-15-28(25(29)26-22)19-12-13-21-20-6-4-3-5-7-23(20)27(2)24(21)16-19/h3-7,12-15H,8-11H2,1-2H3;3-7,12-15H,8-11,16H2,1-2H3;8-16H,3-7,17H2,1-2H3;7-15H,2-6,16H2,1H3;8-15H,3-7,16H2,1-2H3;8-16H,3-7H2,1-2H3
• InChIKey: KMRFLSZOESGLHZ-UHFFFAOYSA-N
• XLogP: 27.10
• TPSA: 329.35 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2586.46
LogP ≤ 5	27.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

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-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)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-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one (CID 159179232) is 1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)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-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)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-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one is CC(=O)N1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)ccc23)CC1.CC(=O)N1CCc2c(n(C)c3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc23)CC1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)n2)cc1.Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)cn1.Cc1ccc(COc2cnn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CCCCC2.

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

The InChIKey is KMRFLSZOESGLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2.C26H25FN4O3.C26H27N3O2.C25H24ClN3O2.C25H26N4O2.C25H25N3O/c1-16(34)32-10-8-21-20-5-4-19(14-23(20)31(2)22(21)9-11-32)33-12-7-17(13-25(33)35)18-3-6-24(30-15-18)26(27,28)29;1-17(32)30-10-8-23-22-6-5-20(13-25(22)29(2)24(23)9-11-30)31-12-7-21(14-26(31)33)34-16-19-4-3-18(27)15-28-19;1-18-8-9-19(16-27-18)17-31-21-12-13-29(26(30)15-21)20-10-11-23-22-6-4-3-5-7-24(22)28(2)25(23)14-20;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;1-17-8-9-18(14-26-17)16-31-20-13-25(30)29(27-15-20)19-10-11-22-21-6-4-3-5-7-23(21)28(2)24(22)12-19;1-17-8-10-18(11-9-17)22-14-15-28(25(29)26-22)19-12-13-21-20-6-4-3-5-7-23(20)27(2)24(21)16-19/h3-7,12-15H,8-11H2,1-2H3;3-7,12-15H,8-11,16H2,1-2H3;8-16H,3-7,17H2,1-2H3;7-15H,2-6,16H2,1H3;8-15H,3-7,16H2,1-2H3;8-16H,3-7H2,1-2H3.

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

1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one has a molecular weight of 2586.46 g/mol, XLogP of 27.10, 20 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;1-(3-acetyl-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-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-(4-methylphenyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyrimidin-2-one;5-[(6-methyl-3-pyridinyl)methoxy]-2-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridazin-3-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one is sourced from PubChem (CID 159179232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).