4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate

C130H129Cl2N17O13 — CID 158899258

About 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate

4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate (PubChem CID 158899258) has the molecular formula C130H129Cl2N17O13 and a molecular weight of 2208.47 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate.

Molecular Properties

• Compound Name: 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
• PubChem CID: 158899258
• Molecular Formula: C130H129Cl2N17O13
• Molecular Weight: 2208.47 g/mol
• Exact Mass: 2205.93
• IUPAC Name: 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
• SMILES: CN(C)OC(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.CN1CCc2c(c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3n2C)C1.Cn1c2c(c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc31)CNCC2.Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)cc31)CNCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(C(=O)OCCN1CCCC1)CC2
• InChI: InChI=1S/C31H34N4O4.C27H28N4O4.C25H25N3O2.C24H23N3O2.C23H19Cl2N3O/c1-32-28-12-15-34(31(37)38-18-17-33-13-5-6-14-33)21-27(28)26-10-9-24(19-29(26)32)35-16-11-25(20-30(35)36)39-22-23-7-3-2-4-8-23;1-28(2)35-27(33)30-13-12-24-23(17-30)22-10-9-20(15-25(22)29(24)3)31-14-11-21(16-26(31)32)34-18-19-7-5-4-6-8-19;1-26-12-11-24-22(16-26)21-14-19(8-9-23(21)27(24)2)28-13-10-20(15-25(28)29)30-17-18-6-4-3-5-7-18;1-26-22-8-7-18(13-20(22)21-15-25-11-9-23(21)26)27-12-10-19(14-24(27)28)29-16-17-5-3-2-4-6-17;1-27-21-6-8-26-13-19(21)18-5-3-16(12-22(18)27)28-9-7-14(10-23(28)29)17-4-2-15(24)11-20(17)25/h2-4,7-11,16,19-20H,5-6,12-15,17-18,21-22H2,1H3;4-11,14-16H,12-13,17-18H2,1-3H3;3-10,13-15H,11-12,16-17H2,1-2H3;2-8,10,12-14,25H,9,11,15-16H2,1H3;2-5,7,9-12,26H,6,8,13H2,1H3
• InChIKey: JFFMGBBBPZOREB-UHFFFAOYSA-N
• XLogP: 20.78
• TPSA: 264.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2208.47
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?

The IUPAC name of 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate (CID 158899258) is 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate.

What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?

The canonical SMILES for 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate is CN(C)OC(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1.CN1CCc2c(c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3n2C)C1.Cn1c2c(c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc31)CNCC2.Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)cc31)CNCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(C(=O)OCCN1CCCC1)CC2.

What is the InChIKey of 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?

The InChIKey is JFFMGBBBPZOREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O4.C27H28N4O4.C25H25N3O2.C24H23N3O2.C23H19Cl2N3O/c1-32-28-12-15-34(31(37)38-18-17-33-13-5-6-14-33)21-27(28)26-10-9-24(19-29(26)32)35-16-11-25(20-30(35)36)39-22-23-7-3-2-4-8-23;1-28(2)35-27(33)30-13-12-24-23(17-30)22-10-9-20(15-25(22)29(24)3)31-14-11-21(16-26(31)32)34-18-19-7-5-4-6-8-19;1-26-12-11-24-22(16-26)21-14-19(8-9-23(21)27(24)2)28-13-10-20(15-25(28)29)30-17-18-6-4-3-5-7-18;1-26-22-8-7-18(13-20(22)21-15-25-11-9-23(21)26)27-12-10-19(14-24(27)28)29-16-17-5-3-2-4-6-17;1-27-21-6-8-26-13-19(21)18-5-3-16(12-22(18)27)28-9-7-14(10-23(28)29)17-4-2-15(24)11-20(17)25/h2-4,7-11,16,19-20H,5-6,12-15,17-18,21-22H2,1H3;4-11,14-16H,12-13,17-18H2,1-3H3;3-10,13-15H,11-12,16-17H2,1-2H3;2-8,10,12-14,25H,9,11,15-16H2,1H3;2-5,7,9-12,26H,6,8,13H2,1H3.

What are the key properties of 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate?

4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate has a molecular weight of 2208.47 g/mol, XLogP of 20.78, 22 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichlorophenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dimethylamino 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;2-pyrrolidin-1-ylethyl 5-methyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate is sourced from PubChem (CID 158899258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).