4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

C132H131F9N28O12S6 — CID 158767644

About 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (PubChem CID 158767644) has the molecular formula C132H131F9N28O12S6 and a molecular weight of 2665.07 g/mol. Its IUPAC name is 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
• PubChem CID: 158767644
• Molecular Formula: C132H131F9N28O12S6
• Molecular Weight: 2665.07 g/mol
• Exact Mass: 2662.87
• IUPAC Name: 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
• SMILES: Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C)CC3)cc1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C)CC3)cn1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ncc(S(=O)(=O)NC(C)C)cn1)n2C1CCC1
• InChI: InChI=1S/C23H21F3N4O2S.C23H24N4O2S.C22H20F3N5O2S.C22H21F3N4O2S.C22H23N5O2S.C20H22N6O2S/c1-14-11-18-19(12-27)20(30(16-3-2-4-16)21(18)28-13-14)15-5-7-17(8-6-15)33(31,32)29-22(9-10-22)23(24,25)26;1-15-12-19-20(13-24)21(27(17-4-3-5-17)22(19)25-14-15)16-6-8-18(9-7-16)30(28,29)26-23(2)10-11-23;1-13-9-16-17(10-26)19(30(14-3-2-4-14)20(16)28-11-13)18-6-5-15(12-27-18)33(31,32)29-21(7-8-21)22(23,24)25;1-13-10-18-19(11-26)20(29(16-4-3-5-16)21(18)27-12-13)15-6-8-17(9-7-15)32(30,31)28-14(2)22(23,24)25;1-14-10-17-18(11-23)20(27(15-4-3-5-15)21(17)25-12-14)19-7-6-16(13-24-19)30(28,29)26-22(2)8-9-22;1-12(2)25-29(27,28)15-10-22-19(23-11-15)18-17(8-21)16-7-13(3)9-24-20(16)26(18)14-5-4-6-14/h5-8,11,13,16,29H,2-4,9-10H2,1H3;6-9,12,14,17,26H,3-5,10-11H2,1-2H3;5-6,9,11-12,14,29H,2-4,7-8H2,1H3;6-10,12,14,16,28H,3-5H2,1-2H3;6-7,10,12-13,15,26H,3-5,8-9H2,1-2H3;7,9-12,14,25H,4-6H2,1-3H3/t;;;14-;;/m...0../s1
• InChIKey: IPLPXSPWORUHRW-CCDAQBCUSA-N
• XLogP: 25.55
• TPSA: 578.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2665.07
LogP ≤ 5	25.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

The IUPAC name of 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (CID 158767644) is 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

What is the SMILES notation for 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

The canonical SMILES for 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C)CC3)cc1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C)CC3)cn1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2C1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ncc(S(=O)(=O)NC(C)C)cn1)n2C1CCC1.

What is the InChIKey of 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

The InChIKey is IPLPXSPWORUHRW-CCDAQBCUSA-N. The full InChI is InChI=1S/C23H21F3N4O2S.C23H24N4O2S.C22H20F3N5O2S.C22H21F3N4O2S.C22H23N5O2S.C20H22N6O2S/c1-14-11-18-19(12-27)20(30(16-3-2-4-16)21(18)28-13-14)15-5-7-17(8-6-15)33(31,32)29-22(9-10-22)23(24,25)26;1-15-12-19-20(13-24)21(27(17-4-3-5-17)22(19)25-14-15)16-6-8-18(9-7-16)30(28,29)26-23(2)10-11-23;1-13-9-16-17(10-26)19(30(14-3-2-4-14)20(16)28-11-13)18-6-5-15(12-27-18)33(31,32)29-21(7-8-21)22(23,24)25;1-13-10-18-19(11-26)20(29(16-4-3-5-16)21(18)27-12-13)15-6-8-17(9-7-15)32(30,31)28-14(2)22(23,24)25;1-14-10-17-18(11-23)20(27(15-4-3-5-15)21(17)25-12-14)19-7-6-16(13-24-19)30(28,29)26-22(2)8-9-22;1-12(2)25-29(27,28)15-10-22-19(23-11-15)18-17(8-21)16-7-13(3)9-24-20(16)26(18)14-5-4-6-14/h5-8,11,13,16,29H,2-4,9-10H2,1H3;6-9,12,14,17,26H,3-5,10-11H2,1-2H3;5-6,9,11-12,14,29H,2-4,7-8H2,1H3;6-10,12,14,16,28H,3-5H2,1-2H3;6-7,10,12-13,15,26H,3-5,8-9H2,1-2H3;7,9-12,14,25H,4-6H2,1-3H3/t;;;14-;;/m...0../s1.

What are the key properties of 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide has a molecular weight of 2665.07 g/mol, XLogP of 25.55, 30 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 158767644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).