4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(2-methylpyrimidin-5-yl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one

C126H126FN15O8 — CID 158587873

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(2-methylpyrimidin-5-yl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(2-methylpyrimidin-5-yl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 158587873) has the molecular formula C126H126FN15O8 and a molecular weight of 1997.49 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(2-methylpyrimidin-5-yl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

• Compound Name: 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(2-methylpyrimidin-5-yl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one
• PubChem CID: 158587873
• Molecular Formula: C126H126FN15O8
• Molecular Weight: 1997.49 g/mol
• Exact Mass: 1995.99
• IUPAC Name: 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(2-methylpyrimidin-5-yl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one
• SMILES: Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)nc1.Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)cn1.Cc1ncc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCCC2
• InChI: InChI=1S/C26H27N3O2.C26H26N2O2.C25H24FN3O2.C25H25N3O.C24H24N4O/c1-18-8-9-19(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;1-27-24-11-7-3-6-10-22(24)23-13-12-20(16-25(23)27)28-15-14-21(17-26(28)29)30-18-19-8-4-2-5-9-19;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;1-17-8-11-22(26-16-17)18-12-13-28(25(29)14-18)19-9-10-21-20-6-4-3-5-7-23(20)27(2)24(21)15-19;1-16-25-14-18(15-26-16)17-10-11-28(24(29)12-17)19-8-9-21-20-6-4-3-5-7-22(20)27(2)23(21)13-19/h8-16H,3-7,17H2,1-2H3;2,4-5,8-9,12-17H,3,6-7,10-11,18H2,1H3;7-15H,2-6,16H2,1H3;8-16H,3-7H2,1-2H3;8-15H,3-7H2,1-2H3
• InChIKey: HUBATUZLCLEXRD-UHFFFAOYSA-N
• XLogP: 24.10
• TPSA: 226.79 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1997.49
LogP ≤ 5	24.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(2-methylpyrimidin-5-yl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one (CID 158587873) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(2-methylpyrimidin-5-yl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one.

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

The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(2-methylpyrimidin-5-yl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one is Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)nc1.Cc1ccc(COc2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)cn1.Cc1ncc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCCC5)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCCC2.

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

The InChIKey is HUBATUZLCLEXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2.C26H26N2O2.C25H24FN3O2.C25H25N3O.C24H24N4O/c1-18-8-9-19(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;1-27-24-11-7-3-6-10-22(24)23-13-12-20(16-25(23)27)28-15-14-21(17-26(28)29)30-18-19-8-4-2-5-9-19;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;1-17-8-11-22(26-16-17)18-12-13-28(25(29)14-18)19-9-10-21-20-6-4-3-5-7-23(20)27(2)24(21)15-19;1-16-25-14-18(15-26-16)17-10-11-28(24(29)12-17)19-8-9-21-20-6-4-3-5-7-22(20)27(2)23(21)13-19/h8-16H,3-7,17H2,1-2H3;2,4-5,8-9,12-17H,3,6-7,10-11,18H2,1H3;7-15H,2-6,16H2,1H3;8-16H,3-7H2,1-2H3;8-15H,3-7H2,1-2H3.

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

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(2-methylpyrimidin-5-yl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one has a molecular weight of 1997.49 g/mol, XLogP of 24.10, 16 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;4-(2-methylpyrimidin-5-yl)-1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)pyridin-2-one;1-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-3-yl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 158587873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).