3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide

C112H132Cl2N16O22P2S4 — CID 161252810

About 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide

3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide (PubChem CID 161252810) has the molecular formula C112H132Cl2N16O22P2S4 and a molecular weight of 2315.50 g/mol. Its IUPAC name is 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide
• PubChem CID: 161252810
• Molecular Formula: C112H132Cl2N16O22P2S4
• Molecular Weight: 2315.50 g/mol
• Exact Mass: 2312.74
• IUPAC Name: 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide
• SMILES: CCN(CCCNC(=O)c1cc(-c2cccc(S(=O)(=O)CC)c2)c2c([nH]c3ncc(C)cc32)c1C)CCOP(=O)(O)O.CCN(CCO)CCCNC(=O)c1cc(-c2cccc(S(=O)(=O)CC)c2)c2c([nH]c3ncc(C)cc32)c1C.Cc1c(C(=O)NCCN(C)CCO)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(Cl)cc12.Cc1c(C(=O)NCCN(C)CCOP(=O)(O)O)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(Cl)cc12
• InChI: InChI=1S/C29H37N4O7PS.C29H36N4O4S.C27H30ClN4O7PS.C27H29ClN4O4S/c1-5-33(13-14-40-41(35,36)37)12-8-11-30-29(34)23-17-24(21-9-7-10-22(16-21)42(38,39)6-2)26-25-15-19(3)18-31-28(25)32-27(26)20(23)4;1-5-33(13-14-34)12-8-11-30-29(35)23-17-24(21-9-7-10-22(16-21)38(36,37)6-2)26-25-15-19(3)18-31-28(25)32-27(26)20(23)4;1-16-21(27(33)29-8-9-32(2)10-11-39-40(34,35)36)14-22(24-23-13-18(28)15-30-26(23)31-25(16)24)17-4-3-5-20(12-17)41(37,38)19-6-7-19;1-16-21(27(34)29-8-9-32(2)10-11-33)14-22(24-23-13-18(28)15-30-26(23)31-25(16)24)17-4-3-5-20(12-17)37(35,36)19-6-7-19/h7,9-10,15-18H,5-6,8,11-14H2,1-4H3,(H,30,34)(H,31,32)(H2,35,36,37);7,9-10,15-18,34H,5-6,8,11-14H2,1-4H3,(H,30,35)(H,31,32);3-5,12-15,19H,6-11H2,1-2H3,(H,29,33)(H,30,31)(H2,34,35,36);3-5,12-15,19,33H,6-11H2,1-2H3,(H,29,34)(H,30,31)
• InChIKey: VBMMTBBQSUKLHU-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 554.62 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 44
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2315.50
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide?

The IUPAC name of 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide (CID 161252810) is 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide.

What is the SMILES notation for 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide?

The canonical SMILES for 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide is CCN(CCCNC(=O)c1cc(-c2cccc(S(=O)(=O)CC)c2)c2c([nH]c3ncc(C)cc32)c1C)CCOP(=O)(O)O.CCN(CCO)CCCNC(=O)c1cc(-c2cccc(S(=O)(=O)CC)c2)c2c([nH]c3ncc(C)cc32)c1C.Cc1c(C(=O)NCCN(C)CCO)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(Cl)cc12.Cc1c(C(=O)NCCN(C)CCOP(=O)(O)O)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(Cl)cc12.

What is the InChIKey of 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide?

The InChIKey is VBMMTBBQSUKLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N4O7PS.C29H36N4O4S.C27H30ClN4O7PS.C27H29ClN4O4S/c1-5-33(13-14-40-41(35,36)37)12-8-11-30-29(34)23-17-24(21-9-7-10-22(16-21)42(38,39)6-2)26-25-15-19(3)18-31-28(25)32-27(26)20(23)4;1-5-33(13-14-34)12-8-11-30-29(35)23-17-24(21-9-7-10-22(16-21)38(36,37)6-2)26-25-15-19(3)18-31-28(25)32-27(26)20(23)4;1-16-21(27(33)29-8-9-32(2)10-11-39-40(34,35)36)14-22(24-23-13-18(28)15-30-26(23)31-25(16)24)17-4-3-5-20(12-17)41(37,38)19-6-7-19;1-16-21(27(34)29-8-9-32(2)10-11-33)14-22(24-23-13-18(28)15-30-26(23)31-25(16)24)17-4-3-5-20(12-17)37(35,36)19-6-7-19/h7,9-10,15-18H,5-6,8,11-14H2,1-4H3,(H,30,34)(H,31,32)(H2,35,36,37);7,9-10,15-18,34H,5-6,8,11-14H2,1-4H3,(H,30,35)(H,31,32);3-5,12-15,19H,6-11H2,1-2H3,(H,29,33)(H,30,31)(H2,34,35,36);3-5,12-15,19,33H,6-11H2,1-2H3,(H,29,34)(H,30,31).

What are the key properties of 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide?

3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide has a molecular weight of 2315.50 g/mol, XLogP of 16.56, 44 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide is sourced from PubChem (CID 161252810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).