1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one)

C145H139FN18O8 — CID 158728905

About 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one)

1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one) (PubChem CID 158728905) has the molecular formula C145H139FN18O8 and a molecular weight of 2280.82 g/mol. Its IUPAC name is 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one).

Molecular Properties

• Compound Name: 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one)
• PubChem CID: 158728905
• Molecular Formula: C145H139FN18O8
• Molecular Weight: 2280.82 g/mol
• Exact Mass: 2279.10
• IUPAC Name: 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one)
• SMILES: CC1NCCc2c1n(C)c1cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cn1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cn1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)nc1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)nc1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)nc5)cc4=O)cc31)CCCC2
• InChI: InChI=1S/C25H25N3O2.C24H22FN3O2.4C24H23N3O/c1-17-25-22(10-12-26-17)21-9-8-19(14-23(21)27(25)2)28-13-11-20(15-24(28)29)30-16-18-6-4-3-5-7-18;1-27-21-5-3-2-4-19(21)20-8-7-17(12-22(20)27)28-11-10-18(13-24(28)29)30-15-16-6-9-23(25)26-14-16;2*1-16-7-10-21(25-15-16)17-11-12-27(24(28)13-17)18-8-9-20-19-5-3-4-6-22(19)26(2)23(20)14-18;2*1-16-7-8-18(15-25-16)17-11-12-27(24(28)13-17)19-9-10-21-20-5-3-4-6-22(20)26(2)23(21)14-19/h3-9,11,13-15,17,26H,10,12,16H2,1-2H3;6-14H,2-5,15H2,1H3;4*7-15H,3-6H2,1-2H3
• InChIKey: IKVSSOYVUNTEPX-UHFFFAOYSA-N
• XLogP: 26.75
• TPSA: 256.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2280.82
LogP ≤ 5	26.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one)?

The IUPAC name of 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one) (CID 158728905) is 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one).

What is the SMILES notation for 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one)?

The canonical SMILES for 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one) is CC1NCCc2c1n(C)c1cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cn1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cn1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)nc1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)nc1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)nc5)cc4=O)cc31)CCCC2.

What is the InChIKey of 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one)?

The InChIKey is IKVSSOYVUNTEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2.C24H22FN3O2.4C24H23N3O/c1-17-25-22(10-12-26-17)21-9-8-19(14-23(21)27(25)2)28-13-11-20(15-24(28)29)30-16-18-6-4-3-5-7-18;1-27-21-5-3-2-4-19(21)20-8-7-17(12-22(20)27)28-11-10-18(13-24(28)29)30-15-16-6-9-23(25)26-14-16;2*1-16-7-10-21(25-15-16)17-11-12-27(24(28)13-17)18-8-9-20-19-5-3-4-6-22(19)26(2)23(20)14-18;2*1-16-7-8-18(15-25-16)17-11-12-27(24(28)13-17)19-9-10-21-20-5-3-4-6-22(20)26(2)23(21)14-19/h3-9,11,13-15,17,26H,10,12,16H2,1-2H3;6-14H,2-5,15H2,1H3;4*7-15H,3-6H2,1-2H3.

What are the key properties of 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one)?

1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one) has a molecular weight of 2280.82 g/mol, XLogP of 26.75, 16 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;4-[(6-fluoro-3-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;bis(4-(5-methyl-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one);bis(4-(6-methyl-3-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one) is sourced from PubChem (CID 158728905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).