3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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

C114H127ClFN16O17PS4 — CID 158193356

About 3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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 158193356) has the molecular formula C114H127ClFN16O17PS4 and a molecular weight of 2207.06 g/mol. Its IUPAC name is 3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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: 158193356
• Molecular Formula: C114H127ClFN16O17PS4
• Molecular Weight: 2207.06 g/mol
• Exact Mass: 2204.79
• IUPAC Name: 3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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(CCOP(=O)(O)O)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.Cc1c(C(=O)NC2CCN(C)CC2)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(Cl)cc12.Cc1c(C(=O)NC2CCN(C)CC2)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(F)cc12
• InChI: InChI=1S/C29H35N4O7PS.C29H34N4O4S.C28H29ClN4O3S.C28H29FN4O3S/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;2*1-16-22(28(34)31-19-8-10-33(2)11-9-19)14-23(25-24-13-18(29)15-30-27(24)32-26(16)25)17-4-3-5-21(12-17)37(35,36)20-6-7-20/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);2*3-5,12-15,19-20H,6-11H2,1-2H3,(H,30,32)(H,31,34)
• InChIKey: GAAOVTIYPURTJU-UHFFFAOYSA-N
• XLogP: 17.77
• TPSA: 467.63 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2207.06
LogP ≤ 5	17.77
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

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)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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 158193356) is 3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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(CCOP(=O)(O)O)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.Cc1c(C(=O)NC2CCN(C)CC2)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(Cl)cc12.Cc1c(C(=O)NC2CCN(C)CC2)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncc(F)cc12.

What is the InChIKey of 3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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 GAAOVTIYPURTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N4O7PS.C29H34N4O4S.C28H29ClN4O3S.C28H29FN4O3S/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;2*1-16-22(28(34)31-19-8-10-33(2)11-9-19)14-23(25-24-13-18(29)15-30-27(24)32-26(16)25)17-4-3-5-21(12-17)37(35,36)20-6-7-20/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);2*3-5,12-15,19-20H,6-11H2,1-2H3,(H,30,32)(H,31,34).

What are the key properties of 3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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 2207.06 g/mol, XLogP of 17.77, 26 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;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 158193356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).