N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide

C₁₁₀H₉₀ClF₁₃N₂₈O₁₀S₇ — CID 158468160

About N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide

N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide (PubChem CID 158468160) has the molecular formula C₁₁₀H₉₀ClF₁₃N₂₈O₁₀S₇ and a molecular weight of 2472.02 g/mol. Its IUPAC name is N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide
• PubChem CID: 158468160
• Molecular Formula: C₁₁₀H₉₀ClF₁₃N₂₈O₁₀S₇
• Molecular Weight: 2472.02 g/mol
• Exact Mass: 2469.50
• IUPAC Name: N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide
• SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ccc(F)cc2)nc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ccccc2)nc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2-c2nccs2)nc1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1nc(C#N)cs1.[2H]C(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2C2CCC2)nc1
• InChI: InChI=1S/C24H19F4N5O2S.C24H20F3N5O2S.C21H14F3N7O2S2.C21H20F3N5O2S.C20H17ClN6O2S2/c1-23(2,3)32-36(34,35)17-8-9-20(30-13-17)21-19(11-29)18-10-14(24(26,27)28)12-31-22(18)33(21)16-6-4-15(25)5-7-16;1-23(2,3)31-35(33,34)17-9-10-20(29-14-17)21-19(12-28)18-11-15(24(25,26)27)13-30-22(18)32(21)16-7-5-4-6-8-16;1-11-5-15-16(7-26)18(31(19(15)28-8-11)20-29-13(6-25)10-34-20)17-4-3-14(9-27-17)35(32,33)30-12(2)21(22,23)24;1-12(2)28-32(30,31)15-6-7-18(26-11-15)19-17(9-25)16-8-13(21(22,23)24)10-27-20(16)29(19)14-4-3-5-14;1-20(2,3)26-31(28,29)13-4-5-16(24-11-13)17-15(9-22)14-8-12(21)10-25-18(14)27(17)19-23-6-7-30-19/h4-10,12-13,32H,1-3H3;4-11,13-14,31H,1-3H3;3-5,8-10,12,30H,1-2H3;6-8,10-12,14,28H,3-5H2,1-2H3;4-8,10-11,26H,1-3H3/t;;12-;;/m..0../s1/i;;;12D
• InChIKey: HGACOTVUIGKDGC-WJRXQUJZSA-N
• XLogP: 22.62
• TPSA: 552.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2472.02
LogP ≤ 5	22.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide?

The IUPAC name of N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide (CID 158468160) is N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide.

What is the SMILES notation for N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide?

The canonical SMILES for N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ccc(F)cc2)nc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ccccc2)nc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2-c2nccs2)nc1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1nc(C#N)cs1.[2H]C(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2C2CCC2)nc1.

What is the InChIKey of N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide?

The InChIKey is HGACOTVUIGKDGC-WJRXQUJZSA-N. The full InChI is InChI=1S/C24H19F4N5O2S.C24H20F3N5O2S.C21H14F3N7O2S2.C21H20F3N5O2S.C20H17ClN6O2S2/c1-23(2,3)32-36(34,35)17-8-9-20(30-13-17)21-19(11-29)18-10-14(24(26,27)28)12-31-22(18)33(21)16-6-4-15(25)5-7-16;1-23(2,3)31-35(33,34)17-9-10-20(29-14-17)21-19(12-28)18-11-15(24(25,26)27)13-30-22(18)32(21)16-7-5-4-6-8-16;1-11-5-15-16(7-26)18(31(19(15)28-8-11)20-29-13(6-25)10-34-20)17-4-3-14(9-27-17)35(32,33)30-12(2)21(22,23)24;1-12(2)28-32(30,31)15-6-7-18(26-11-15)19-17(9-25)16-8-13(21(22,23)24)10-27-20(16)29(19)14-4-3-5-14;1-20(2,3)26-31(28,29)13-4-5-16(24-11-13)17-15(9-22)14-8-12(21)10-25-18(14)27(17)19-23-6-7-30-19/h4-10,12-13,32H,1-3H3;4-11,13-14,31H,1-3H3;3-5,8-10,12,30H,1-2H3;6-8,10-12,14,28H,3-5H2,1-2H3;4-8,10-11,26H,1-3H3/t;;12-;;/m..0../s1/i;;;12D;.

What are the key properties of N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide?

N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 2472.02 g/mol, XLogP of 22.62, 22 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-cyano-1,3-thiazol-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclobutyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(2-deuteriopropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 158468160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158468160 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.