3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide

C118H132Cl2N16O22P2S4 — CID 158034469

About 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide

3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide (PubChem CID 158034469) has the molecular formula C118H132Cl2N16O22P2S4 and a molecular weight of 2387.57 g/mol. Its IUPAC name is 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide
• PubChem CID: 158034469
• Molecular Formula: C118H132Cl2N16O22P2S4
• Molecular Weight: 2387.57 g/mol
• Exact Mass: 2384.74
• IUPAC Name: 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide
• SMILES: Cc1c(C(=O)NC2CCN(CCO)CC2)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(Cl)cc12.Cc1c(C(=O)NC2CCN(CCOP(=O)(O)O)CC2)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(Cl)cc12.Cc1cnc2[nH]c3c(C)c(C(=O)NC4CCN(CCO)CC4)cc(-c4cccc(S(=O)(=O)C5CC5)c4)c3c2c1.Cc1cnc2[nH]c3c(C)c(C(=O)NC4CCN(CCOP(=O)(O)O)CC4)cc(-c4cccc(S(=O)(=O)C5CC5)c4)c3c2c1
• InChI: InChI=1S/C30H35N4O7PS.C30H34N4O4S.C29H32ClN4O7PS.C29H31ClN4O4S/c1-18-14-26-27-25(20-4-3-5-23(15-20)43(39,40)22-6-7-22)16-24(19(2)28(27)33-29(26)31-17-18)30(35)32-21-8-10-34(11-9-21)12-13-41-42(36,37)38;1-18-14-26-27-25(20-4-3-5-23(15-20)39(37,38)22-6-7-22)16-24(19(2)28(27)33-29(26)31-17-18)30(36)32-21-8-10-34(11-9-21)12-13-35;1-17-23(29(35)32-20-7-9-34(10-8-20)11-12-41-42(36,37)38)15-24(26-25-14-19(30)16-31-28(25)33-27(17)26)18-3-2-4-22(13-18)43(39,40)21-5-6-21;1-17-23(29(36)32-20-7-9-34(10-8-20)11-12-35)15-24(26-25-14-19(30)16-31-28(25)33-27(17)26)18-3-2-4-22(13-18)39(37,38)21-5-6-21/h3-5,14-17,21-22H,6-13H2,1-2H3,(H,31,33)(H,32,35)(H2,36,37,38);3-5,14-17,21-22,35H,6-13H2,1-2H3,(H,31,33)(H,32,36);2-4,13-16,20-21H,5-12H2,1H3,(H,31,33)(H,32,35)(H2,36,37,38);2-4,13-16,20-21,35H,5-12H2,1H3,(H,31,33)(H,32,36)
• InChIKey: FHOPOYLJLJVRKN-UHFFFAOYSA-N
• XLogP: 17.41
• TPSA: 554.62 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2387.57
LogP ≤ 5	17.41
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-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide?

The IUPAC name of 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide (CID 158034469) is 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide.

What is the SMILES notation for 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide?

The canonical SMILES for 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide is Cc1c(C(=O)NC2CCN(CCO)CC2)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(Cl)cc12.Cc1c(C(=O)NC2CCN(CCOP(=O)(O)O)CC2)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(Cl)cc12.Cc1cnc2[nH]c3c(C)c(C(=O)NC4CCN(CCO)CC4)cc(-c4cccc(S(=O)(=O)C5CC5)c4)c3c2c1.Cc1cnc2[nH]c3c(C)c(C(=O)NC4CCN(CCOP(=O)(O)O)CC4)cc(-c4cccc(S(=O)(=O)C5CC5)c4)c3c2c1.

What is the InChIKey of 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide?

The InChIKey is FHOPOYLJLJVRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N4O7PS.C30H34N4O4S.C29H32ClN4O7PS.C29H31ClN4O4S/c1-18-14-26-27-25(20-4-3-5-23(15-20)43(39,40)22-6-7-22)16-24(19(2)28(27)33-29(26)31-17-18)30(35)32-21-8-10-34(11-9-21)12-13-41-42(36,37)38;1-18-14-26-27-25(20-4-3-5-23(15-20)39(37,38)22-6-7-22)16-24(19(2)28(27)33-29(26)31-17-18)30(36)32-21-8-10-34(11-9-21)12-13-35;1-17-23(29(35)32-20-7-9-34(10-8-20)11-12-41-42(36,37)38)15-24(26-25-14-19(30)16-31-28(25)33-27(17)26)18-3-2-4-22(13-18)43(39,40)21-5-6-21;1-17-23(29(36)32-20-7-9-34(10-8-20)11-12-35)15-24(26-25-14-19(30)16-31-28(25)33-27(17)26)18-3-2-4-22(13-18)39(37,38)21-5-6-21/h3-5,14-17,21-22H,6-13H2,1-2H3,(H,31,33)(H,32,35)(H2,36,37,38);3-5,14-17,21-22,35H,6-13H2,1-2H3,(H,31,33)(H,32,36);2-4,13-16,20-21H,5-12H2,1H3,(H,31,33)(H,32,35)(H2,36,37,38);2-4,13-16,20-21,35H,5-12H2,1H3,(H,31,33)(H,32,36).

What are the key properties of 3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide?

3-chloro-5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide has a molecular weight of 2387.57 g/mol, XLogP of 17.41, 32 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-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-cyclopropylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-cyclopropylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide is sourced from PubChem (CID 158034469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).