1-[2-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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

C120H127N15O12 — CID 159692906

About 1-[2-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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 159692906) has the molecular formula C120H127N15O12 and a molecular weight of 1971.43 g/mol. Its IUPAC name is 1-[2-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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: 159692906
• Molecular Formula: C120H127N15O12
• Molecular Weight: 1971.43 g/mol
• Exact Mass: 1969.98
• IUPAC Name: 1-[2-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(C(=O)C1CCCC1)CC2
• InChI: InChI=1S/3C30H32N4O3.C30H31N3O3/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;1-31-27-14-15-32(30(35)22-9-5-6-10-22)19-26(27)25-12-11-23(17-28(25)31)33-16-13-24(18-29(33)34)36-20-21-7-3-2-4-8-21/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;2-4,7-8,11-13,16-18,22H,5-6,9-10,14-15,19-20H2,1H3/t2*27-;;/m10../s1
• InChIKey: MWQJCQHVKWAWHS-DVHIMJCISA-N
• XLogP: 16.50
• TPSA: 235.60 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1971.43
LogP ≤ 5	16.50
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 1-[2-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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 159692906) is 1-[2-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(C(=O)C1CCCC1)CC2.

What is the InChIKey of 1-[2-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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 MWQJCQHVKWAWHS-DVHIMJCISA-N. The full InChI is InChI=1S/3C30H32N4O3.C30H31N3O3/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;1-31-27-14-15-32(30(35)22-9-5-6-10-22)19-26(27)25-12-11-23(17-28(25)31)33-16-13-24(18-29(33)34)36-20-21-7-3-2-4-8-21/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;2-4,7-8,11-13,16-18,22H,5-6,9-10,14-15,19-20H2,1H3/t2*27-;;/m10../s1.

What are the key properties of 1-[2-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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 1971.43 g/mol, XLogP of 16.50, 20 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(cyclopentanecarbonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-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 159692906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).