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

C111H117Cl2FN16O12S4 — CID 158508815

About 3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-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;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide (PubChem CID 158508815) has the molecular formula C111H117Cl2FN16O12S4 and a molecular weight of 2085.43 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;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-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;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
• PubChem CID: 158508815
• Molecular Formula: C111H117Cl2FN16O12S4
• Molecular Weight: 2085.43 g/mol
• Exact Mass: 2082.73
• IUPAC Name: 3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
• SMILES: CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(Cl)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.Cc1c(C(=O)NC2CCN(C)CC2)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncccc12
• InChI: InChI=1S/C28H29ClN4O3S.C28H29FN4O3S.C28H30N4O3S.C27H29ClN4O3S/c2*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;1-17-23(28(33)30-19-10-13-32(2)14-11-19)16-24(25-22-7-4-12-29-27(22)31-26(17)25)18-5-3-6-21(15-18)36(34,35)20-8-9-20;1-4-36(34,35)20-7-5-6-17(12-20)22-14-21(27(33)30-19-8-10-32(3)11-9-19)16(2)25-24(22)23-13-18(28)15-29-26(23)31-25/h2*3-5,12-15,19-20H,6-11H2,1-2H3,(H,30,32)(H,31,34);3-7,12,15-16,19-20H,8-11,13-14H2,1-2H3,(H,29,31)(H,30,33);5-7,12-15,19H,4,8-11H2,1-3H3,(H,29,31)(H,30,33)
• InChIKey: HKUGXLZFGOCZSS-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 380.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.43
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

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;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-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;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide (CID 158508815) is 3-chloro-5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-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;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-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;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide is CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(Cl)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.Cc1c(C(=O)NC2CCN(C)CC2)cc(-c2cccc(S(=O)(=O)C3CC3)c2)c2c1[nH]c1ncccc12.

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

The InChIKey is HKUGXLZFGOCZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O3S.C28H29FN4O3S.C28H30N4O3S.C27H29ClN4O3S/c2*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;1-17-23(28(33)30-19-10-13-32(2)14-11-19)16-24(25-22-7-4-12-29-27(22)31-26(17)25)18-5-3-6-21(15-18)36(34,35)20-8-9-20;1-4-36(34,35)20-7-5-6-17(12-20)22-14-21(27(33)30-19-8-10-32(3)11-9-19)16(2)25-24(22)23-13-18(28)15-29-26(23)31-25/h2*3-5,12-15,19-20H,6-11H2,1-2H3,(H,30,32)(H,31,34);3-7,12,15-16,19-20H,8-11,13-14H2,1-2H3,(H,29,31)(H,30,33);5-7,12-15,19H,4,8-11H2,1-3H3,(H,29,31)(H,30,33).

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;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-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;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide has a molecular weight of 2085.43 g/mol, XLogP of 19.11, 20 rotatable bonds, 8 hydrogen bond donors, and 20 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;3-chloro-5-(3-ethylsulfonylphenyl)-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;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide is sourced from PubChem (CID 158508815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).