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

C114H132Cl2N16O22P2S4 — CID 158529052

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

3-chloro-5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide (PubChem CID 158529052) has the molecular formula C114H132Cl2N16O22P2S4 and a molecular weight of 2339.52 g/mol. Its IUPAC name is 3-chloro-5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-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-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide
• PubChem CID: 158529052
• Molecular Formula: C114H132Cl2N16O22P2S4
• Molecular Weight: 2339.52 g/mol
• Exact Mass: 2336.74
• IUPAC Name: 3-chloro-5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide
• SMILES: CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(CCO)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(CCO)CC3)c(C)c3[nH]c4ncc(Cl)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(CCOP(=O)(O)O)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(CCOP(=O)(O)O)CC3)c(C)c3[nH]c4ncc(Cl)cc4c23)c1
• InChI: InChI=1S/C29H35N4O7PS.C29H34N4O4S.C28H32ClN4O7PS.C28H31ClN4O4S/c1-4-42(38,39)22-7-5-6-20(15-22)24-16-23(19(3)27-26(24)25-14-18(2)17-30-28(25)32-27)29(34)31-21-8-10-33(11-9-21)12-13-40-41(35,36)37;1-4-38(36,37)22-7-5-6-20(15-22)24-16-23(29(35)31-21-8-10-33(11-9-21)12-13-34)19(3)27-26(24)25-14-18(2)17-30-28(25)32-27;1-3-42(38,39)21-6-4-5-18(13-21)23-15-22(17(2)26-25(23)24-14-19(29)16-30-27(24)32-26)28(34)31-20-7-9-33(10-8-20)11-12-40-41(35,36)37;1-3-38(36,37)21-6-4-5-18(13-21)23-15-22(28(35)31-20-7-9-33(10-8-20)11-12-34)17(2)26-25(23)24-14-19(29)16-30-27(24)32-26/h5-7,14-17,21H,4,8-13H2,1-3H3,(H,30,32)(H,31,34)(H2,35,36,37);5-7,14-17,21,34H,4,8-13H2,1-3H3,(H,30,32)(H,31,35);4-6,13-16,20H,3,7-12H2,1-2H3,(H,30,32)(H,31,34)(H2,35,36,37);4-6,13-16,20,34H,3,7-12H2,1-2H3,(H,30,32)(H,31,35)
• InChIKey: HNDHUCXSOSLVKG-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 554.62 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2339.52
LogP ≤ 5	16.84
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-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-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-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide (CID 158529052) is 3-chloro-5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-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-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-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-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide is CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(CCO)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(CCO)CC3)c(C)c3[nH]c4ncc(Cl)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(CCOP(=O)(O)O)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(CCOP(=O)(O)O)CC3)c(C)c3[nH]c4ncc(Cl)cc4c23)c1.

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

The InChIKey is HNDHUCXSOSLVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N4O7PS.C29H34N4O4S.C28H32ClN4O7PS.C28H31ClN4O4S/c1-4-42(38,39)22-7-5-6-20(15-22)24-16-23(19(3)27-26(24)25-14-18(2)17-30-28(25)32-27)29(34)31-21-8-10-33(11-9-21)12-13-40-41(35,36)37;1-4-38(36,37)22-7-5-6-20(15-22)24-16-23(29(35)31-21-8-10-33(11-9-21)12-13-34)19(3)27-26(24)25-14-18(2)17-30-28(25)32-27;1-3-42(38,39)21-6-4-5-18(13-21)23-15-22(17(2)26-25(23)24-14-19(29)16-30-27(24)32-26)28(34)31-20-7-9-33(10-8-20)11-12-40-41(35,36)37;1-3-38(36,37)21-6-4-5-18(13-21)23-15-22(28(35)31-20-7-9-33(10-8-20)11-12-34)17(2)26-25(23)24-14-19(29)16-30-27(24)32-26/h5-7,14-17,21H,4,8-13H2,1-3H3,(H,30,32)(H,31,34)(H2,35,36,37);5-7,14-17,21,34H,4,8-13H2,1-3H3,(H,30,32)(H,31,35);4-6,13-16,20H,3,7-12H2,1-2H3,(H,30,32)(H,31,34)(H2,35,36,37);4-6,13-16,20,34H,3,7-12H2,1-2H3,(H,30,32)(H,31,35).

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

3-chloro-5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide has a molecular weight of 2339.52 g/mol, XLogP of 16.84, 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-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-8-methyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[4-[[3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;2-[4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidin-1-yl]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide is sourced from PubChem (CID 158529052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).