1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one

C131H131F3N16O12 — CID 162196837

About 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one

1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 162196837) has the molecular formula C131H131F3N16O12 and a molecular weight of 2178.58 g/mol. Its IUPAC name is 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

• Compound Name: 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one
• PubChem CID: 162196837
• Molecular Formula: C131H131F3N16O12
• Molecular Weight: 2178.58 g/mol
• Exact Mass: 2177.01
• IUPAC Name: 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one
• SMILES: CN1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(C(=O)CN1CCCC1)CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(CC(F)(F)F)CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(CCO)CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CNCC2
• InChI: InChI=1S/C30H32N4O3.C26H24F3N3O2.C26H27N3O3.C25H25N3O2.C24H23N3O2/c1-31-27-12-15-33(30(36)20-32-13-5-6-14-32)19-26(27)25-10-9-23(17-28(25)31)34-16-11-24(18-29(34)35)37-21-22-7-3-2-4-8-22;1-30-23-10-11-31(17-26(27,28)29)15-22(23)21-8-7-19(13-24(21)30)32-12-9-20(14-25(32)33)34-16-18-5-3-2-4-6-18;1-27-24-10-11-28(13-14-30)17-23(24)22-8-7-20(15-25(22)27)29-12-9-21(16-26(29)31)32-18-19-5-3-2-4-6-19;1-26-12-11-23-22(16-26)21-9-8-19(14-24(21)27(23)2)28-13-10-20(15-25(28)29)30-17-18-6-4-3-5-7-18;1-26-22-9-11-25-15-21(22)20-8-7-18(13-23(20)26)27-12-10-19(14-24(27)28)29-16-17-5-3-2-4-6-17/h2-4,7-11,16-18H,5-6,12-15,19-21H2,1H3;2-9,12-14H,10-11,15-17H2,1H3;2-9,12,15-16,30H,10-11,13-14,17-18H2,1H3;3-10,13-15H,11-12,16-17H2,1-2H3;2-8,10,12-14,25H,9,11,15-16H2,1H3
• InChIKey: ZRAYWTFDOJXPDX-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 246.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2178.58
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one?

The IUPAC name of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one (CID 162196837) is 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one.

What is the SMILES notation for 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one?

The canonical SMILES for 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one is CN1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(C(=O)CN1CCCC1)CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(CC(F)(F)F)CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(CCO)CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CNCC2.

What is the InChIKey of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one?

The InChIKey is ZRAYWTFDOJXPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3.C26H24F3N3O2.C26H27N3O3.C25H25N3O2.C24H23N3O2/c1-31-27-12-15-33(30(36)20-32-13-5-6-14-32)19-26(27)25-10-9-23(17-28(25)31)34-16-11-24(18-29(34)35)37-21-22-7-3-2-4-8-22;1-30-23-10-11-31(17-26(27,28)29)15-22(23)21-8-7-19(13-24(21)30)32-12-9-20(14-25(32)33)34-16-18-5-3-2-4-6-18;1-27-24-10-11-28(13-14-30)17-23(24)22-8-7-20(15-25(22)27)29-12-9-21(16-26(29)31)32-18-19-5-3-2-4-6-19;1-26-12-11-23-22(16-26)21-9-8-19(14-24(21)27(23)2)28-13-10-20(15-25(28)29)30-17-18-6-4-3-5-7-18;1-26-22-9-11-25-15-21(22)20-8-7-18(13-23(20)26)27-12-10-19(14-24(27)28)29-16-17-5-3-2-4-6-17/h2-4,7-11,16-18H,5-6,12-15,19-21H2,1H3;2-9,12-14H,10-11,15-17H2,1H3;2-9,12,15-16,30H,10-11,13-14,17-18H2,1H3;3-10,13-15H,11-12,16-17H2,1-2H3;2-8,10,12-14,25H,9,11,15-16H2,1H3.

What are the key properties of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one?

1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 2178.58 g/mol, XLogP of 19.43, 25 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 162196837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).