1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one

C139H140F4N18O11 — CID 159115042

About 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-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-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 159115042) has the molecular formula C139H140F4N18O11 and a molecular weight of 2314.76 g/mol. Its IUPAC name is 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-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-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one
• PubChem CID: 159115042
• Molecular Formula: C139H140F4N18O11
• Molecular Weight: 2314.76 g/mol
• Exact Mass: 2313.09
• IUPAC Name: 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one
• SMILES: CN1CCC(C(=O)N2CCc3c(c4ccc(-n5ccc(OCc6ccccc6)cc5=O)cc4n3C)C2)C1.CN1CCC[C@@H]1C(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.CN1CCC[C@H]1C(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.CN1CCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)cc3n2C)C1.CN1CCc2c(c3ccc(-n4ccc(-c5ccc(F)cc5)cc4=O)cc3n2C)C1
• InChI: InChI=1S/3C30H32N4O3.C25H22F3N3O.C24H22FN3O/c2*1-31-14-6-9-27(31)30(36)33-15-13-26-25(19-33)24-11-10-22(17-28(24)32(26)2)34-16-12-23(18-29(34)35)37-20-21-7-4-3-5-8-21;1-31-13-10-22(18-31)30(36)33-14-12-27-26(19-33)25-9-8-23(16-28(25)32(27)2)34-15-11-24(17-29(34)35)37-20-21-6-4-3-5-7-21;1-29-11-10-22-21(15-29)20-8-7-19(14-23(20)30(22)2)31-12-9-17(13-24(31)32)16-3-5-18(6-4-16)25(26,27)28;1-26-11-10-22-21(15-26)20-8-7-19(14-23(20)27(22)2)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h2*3-5,7-8,10-12,16-18,27H,6,9,13-15,19-20H2,1-2H3;3-9,11,15-17,22H,10,12-14,18-20H2,1-2H3;3-9,12-14H,10-11,15H2,1-2H3;3-9,12-14H,10-11,15H2,1-2H3/t2*27-;;;/m10.../s1
• InChIKey: KEYZNDUXVQQCNJ-MKRRQVIBSA-N
• XLogP: 20.64
• TPSA: 239.47 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2314.76
LogP ≤ 5	20.64
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 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-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-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one (CID 159115042) is 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-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-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-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-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one is CN1CCC(C(=O)N2CCc3c(c4ccc(-n5ccc(OCc6ccccc6)cc5=O)cc4n3C)C2)C1.CN1CCC[C@@H]1C(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.CN1CCC[C@H]1C(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.CN1CCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)cc3n2C)C1.CN1CCc2c(c3ccc(-n4ccc(-c5ccc(F)cc5)cc4=O)cc3n2C)C1.

What is the InChIKey of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one?

The InChIKey is KEYZNDUXVQQCNJ-MKRRQVIBSA-N. The full InChI is InChI=1S/3C30H32N4O3.C25H22F3N3O.C24H22FN3O/c2*1-31-14-6-9-27(31)30(36)33-15-13-26-25(19-33)24-11-10-22(17-28(24)32(26)2)34-16-12-23(18-29(34)35)37-20-21-7-4-3-5-8-21;1-31-13-10-22(18-31)30(36)33-14-12-27-26(19-33)25-9-8-23(16-28(25)32(27)2)34-15-11-24(17-29(34)35)37-20-21-6-4-3-5-7-21;1-29-11-10-22-21(15-29)20-8-7-19(14-23(20)30(22)2)31-12-9-17(13-24(31)32)16-3-5-18(6-4-16)25(26,27)28;1-26-11-10-22-21(15-26)20-8-7-19(14-23(20)27(22)2)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h2*3-5,7-8,10-12,16-18,27H,6,9,13-15,19-20H2,1-2H3;3-9,11,15-17,22H,10,12-14,18-20H2,1-2H3;3-9,12-14H,10-11,15H2,1-2H3;3-9,12-14H,10-11,15H2,1-2H3/t2*27-;;;/m10.../s1.

What are the key properties of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-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-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 2314.76 g/mol, XLogP of 20.64, 19 rotatable bonds, 0 hydrogen bond donors, and 26 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-(4-fluorophenyl)pyridin-2-one;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[5-methyl-2-(1-methylpyrrolidine-3-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2S)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-[5-methyl-2-[(2R)-1-methylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 159115042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).