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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-one

C152H148Cl3F7N18O9 — CID 158544186

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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-one (PubChem CID 158544186) has the molecular formula C152H148Cl3F7N18O9 and a molecular weight of 2610.32 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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-one
• PubChem CID: 158544186
• Molecular Formula: C152H148Cl3F7N18O9
• Molecular Weight: 2610.32 g/mol
• Exact Mass: 2607.06
• 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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-one
• SMILES: Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)nc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(CCc5ccccc5)nc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(Cl)cc5Cl)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc31)CCCCC2
• InChI: InChI=1S/C26H24ClFN2O2.C26H30FN3O.C26H27N3O.C25H23Cl2N3O2.C25H23F2N3O2.C24H21F3N4O/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;1-28-24-6-4-2-3-5-22(24)23-12-11-21(17-25(23)28)30-16-15-29(18-26(30)31)14-13-19-7-9-20(27)10-8-19;1-28-24-11-7-3-6-10-22(24)23-15-14-21(18-25(23)28)29-17-16-20(27-26(29)30)13-12-19-8-4-2-5-9-19;2*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;1-30-20-6-4-2-3-5-17(20)18-9-8-16(13-21(18)30)31-12-11-19(29-23(31)32)15-7-10-22(28-14-15)24(25,26)27/h7-15H,2-6,16H2,1H3;7-12,17H,2-6,13-16,18H2,1H3;2,4-5,8-9,14-18H,3,6-7,10-13H2,1H3;2*7-14H,2-6,15H2,1H3;7-14H,2-6H2,1H3
• InChIKey: HOWYNDFNZCSWTG-UHFFFAOYSA-N
• XLogP: 31.03
• TPSA: 255.27 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2610.32
LogP ≤ 5	31.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-one (CID 158544186) 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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-one is Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)nc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(CCc5ccccc5)nc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(Cl)cc5Cl)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(N4CCN(CCc5ccc(F)cc5)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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-one?

The InChIKey is HOWYNDFNZCSWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O2.C26H30FN3O.C26H27N3O.C25H23Cl2N3O2.C25H23F2N3O2.C24H21F3N4O/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;1-28-24-6-4-2-3-5-22(24)23-12-11-21(17-25(23)28)30-16-15-29(18-26(30)31)14-13-19-7-9-20(27)10-8-19;1-28-24-11-7-3-6-10-22(24)23-15-14-21(18-25(23)28)29-17-16-20(27-26(29)30)13-12-19-8-4-2-5-9-19;2*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;1-30-20-6-4-2-3-5-17(20)18-9-8-16(13-21(18)30)31-12-11-19(29-23(31)32)15-7-10-22(28-14-15)24(25,26)27/h7-15H,2-6,16H2,1H3;7-12,17H,2-6,13-16,18H2,1H3;2,4-5,8-9,14-18H,3,6-7,10-13H2,1H3;2*7-14H,2-6,15H2,1H3;7-14H,2-6H2,1H3.

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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-one has a molecular weight of 2610.32 g/mol, XLogP of 31.03, 22 rotatable bonds, 0 hydrogen bond donors, and 26 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;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[2-(4-fluorophenyl)ethyl]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)piperazin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-(2-phenylethyl)pyrimidin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-one is sourced from PubChem (CID 158544186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).