1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one

C109H122F4N16O6 — CID 123962569

About 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one

1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one (PubChem CID 123962569) has the molecular formula C109H122F4N16O6 and a molecular weight of 1828.27 g/mol. Its IUPAC name is 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
• PubChem CID: 123962569
• Molecular Formula: C109H122F4N16O6
• Molecular Weight: 1828.27 g/mol
• Exact Mass: 1826.97
• IUPAC Name: 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
• SMILES: CCN1CCCc2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc3n2C)C1.CN1CCCc2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc3n2C)C1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CN(C1CCC1)CCC2.Cn1c2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc31)CN(C1CCC1)CCC2
• InChI: InChI=1S/C29H35FN4O.C28H29FN4O2.C26H27FN4O2.C26H31FN4O/c1-31-27-6-3-14-33(23-4-2-5-23)19-26(27)25-12-11-24(18-28(25)31)34-17-16-32(20-29(34)35)15-13-21-7-9-22(30)10-8-21;1-31-26-6-3-12-32(21-4-2-5-21)17-25(26)24-10-9-22(14-27(24)31)33-13-11-23(15-28(33)34)35-18-20-8-7-19(29)16-30-20;1-3-30-11-4-5-24-23(16-30)22-9-8-20(13-25(22)29(24)2)31-12-10-21(14-26(31)32)33-17-19-7-6-18(27)15-28-19;1-28-12-3-4-24-23(17-28)22-10-9-21(16-25(22)29(24)2)31-15-14-30(18-26(31)32)13-11-19-5-7-20(27)8-6-19/h7-12,18,23H,2-6,13-17,19-20H2,1H3;7-11,13-16,21H,2-6,12,17-18H2,1H3;6-10,12-15H,3-5,11,16-17H2,1-2H3;5-10,16H,3-4,11-15,17-18H2,1-2H3
• InChIKey: CDXHJPJSJDCNIZ-UHFFFAOYSA-N
• XLogP: 17.05
• TPSA: 168.02 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.27
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?

The IUPAC name of 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one (CID 123962569) is 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one.

What is the SMILES notation for 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?

The canonical SMILES for 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one is CCN1CCCc2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc3n2C)C1.CN1CCCc2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc3n2C)C1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CN(C1CCC1)CCC2.Cn1c2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc31)CN(C1CCC1)CCC2.

What is the InChIKey of 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?

The InChIKey is CDXHJPJSJDCNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O.C28H29FN4O2.C26H27FN4O2.C26H31FN4O/c1-31-27-6-3-14-33(23-4-2-5-23)19-26(27)25-12-11-24(18-28(25)31)34-17-16-32(20-29(34)35)15-13-21-7-9-22(30)10-8-21;1-31-26-6-3-12-32(21-4-2-5-21)17-25(26)24-10-9-22(14-27(24)31)33-13-11-23(15-28(33)34)35-18-20-8-7-19(29)16-30-20;1-3-30-11-4-5-24-23(16-30)22-9-8-20(13-25(22)29(24)2)31-12-10-21(14-26(31)32)33-17-19-7-6-18(27)15-28-19;1-28-12-3-4-24-23(17-28)22-10-9-21(16-25(22)29(24)2)31-15-14-30(18-26(31)32)13-11-19-5-7-20(27)8-6-19/h7-12,18,23H,2-6,13-17,19-20H2,1H3;7-11,13-16,21H,2-6,12,17-18H2,1H3;6-10,12-15H,3-5,11,16-17H2,1-2H3;5-10,16H,3-4,11-15,17-18H2,1-2H3.

What are the key properties of 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one?

1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one has a molecular weight of 1828.27 g/mol, XLogP of 17.05, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-cyclobutyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-cyclobutyl-6-methyl-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-[2-(4-fluorophenyl)ethyl]piperazin-2-one;1-(2-ethyl-6-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one is sourced from PubChem (CID 123962569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).