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

C106H124Cl2N16O22P2S4 — CID 158776022

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

3-chloro-5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[2-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide (PubChem CID 158776022) has the molecular formula C106H124Cl2N16O22P2S4 and a molecular weight of 2235.37 g/mol. Its IUPAC name is 3-chloro-5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[2-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[2-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide
• PubChem CID: 158776022
• Molecular Formula: C106H124Cl2N16O22P2S4
• Molecular Weight: 2235.37 g/mol
• Exact Mass: 2232.68
• IUPAC Name: 3-chloro-5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[2-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide
• SMILES: CCS(=O)(=O)c1cccc(-c2cc(C(=O)NCCN(C)CCO)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NCCN(C)CCO)c(C)c3[nH]c4ncc(Cl)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NCCN(C)CCOP(=O)(O)O)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NCCN(C)CCOP(=O)(O)O)c(C)c3[nH]c4ncc(Cl)cc4c23)c1
• InChI: InChI=1S/C27H33N4O7PS.C27H32N4O4S.C26H30ClN4O7PS.C26H29ClN4O4S/c1-5-40(36,37)20-8-6-7-19(14-20)22-15-21(27(32)28-9-10-31(4)11-12-38-39(33,34)35)18(3)25-24(22)23-13-17(2)16-29-26(23)30-25;1-5-36(34,35)20-8-6-7-19(14-20)22-15-21(27(33)28-9-10-31(4)11-12-32)18(3)25-24(22)23-13-17(2)16-29-26(23)30-25;1-4-40(36,37)19-7-5-6-17(12-19)21-14-20(26(32)28-8-9-31(3)10-11-38-39(33,34)35)16(2)24-23(21)22-13-18(27)15-29-25(22)30-24;1-4-36(34,35)19-7-5-6-17(12-19)21-14-20(26(33)28-8-9-31(3)10-11-32)16(2)24-23(21)22-13-18(27)15-29-25(22)30-24/h6-8,13-16H,5,9-12H2,1-4H3,(H,28,32)(H,29,30)(H2,33,34,35);6-8,13-16,32H,5,9-12H2,1-4H3,(H,28,33)(H,29,30);5-7,12-15H,4,8-11H2,1-3H3,(H,28,32)(H,29,30)(H2,33,34,35);5-7,12-15,32H,4,8-11H2,1-3H3,(H,28,33)(H,29,30)
• InChIKey: IQMCGYUUVYRRKO-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 554.62 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 40
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.37
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-chloro-5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[2-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide (CID 158776022) is 3-chloro-5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[2-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide.

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

The canonical SMILES for 3-chloro-5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[2-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide is CCS(=O)(=O)c1cccc(-c2cc(C(=O)NCCN(C)CCO)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NCCN(C)CCO)c(C)c3[nH]c4ncc(Cl)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NCCN(C)CCOP(=O)(O)O)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NCCN(C)CCOP(=O)(O)O)c(C)c3[nH]c4ncc(Cl)cc4c23)c1.

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

The InChIKey is IQMCGYUUVYRRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N4O7PS.C27H32N4O4S.C26H30ClN4O7PS.C26H29ClN4O4S/c1-5-40(36,37)20-8-6-7-19(14-20)22-15-21(27(32)28-9-10-31(4)11-12-38-39(33,34)35)18(3)25-24(22)23-13-17(2)16-29-26(23)30-25;1-5-36(34,35)20-8-6-7-19(14-20)22-15-21(27(33)28-9-10-31(4)11-12-32)18(3)25-24(22)23-13-17(2)16-29-26(23)30-25;1-4-40(36,37)19-7-5-6-17(12-19)21-14-20(26(32)28-8-9-31(3)10-11-38-39(33,34)35)16(2)24-23(21)22-13-18(27)15-29-25(22)30-24;1-4-36(34,35)19-7-5-6-17(12-19)21-14-20(26(33)28-8-9-31(3)10-11-32)16(2)24-23(21)22-13-18(27)15-29-25(22)30-24/h6-8,13-16H,5,9-12H2,1-4H3,(H,28,32)(H,29,30)(H2,33,34,35);6-8,13-16,32H,5,9-12H2,1-4H3,(H,28,33)(H,29,30);5-7,12-15H,4,8-11H2,1-3H3,(H,28,32)(H,29,30)(H2,33,34,35);5-7,12-15,32H,4,8-11H2,1-3H3,(H,28,33)(H,29,30).

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

3-chloro-5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[2-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide has a molecular weight of 2235.37 g/mol, XLogP of 14.71, 40 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[2-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;2-[2-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]ethyl-methylamino]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide is sourced from PubChem (CID 158776022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).