4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide

C131H134F10N30O14S6 — CID 159188779

About 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide

4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide (PubChem CID 159188779) has the molecular formula C131H134F10N30O14S6 and a molecular weight of 2735.09 g/mol. Its IUPAC name is 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide.

Molecular Properties

• Compound Name: 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide
• PubChem CID: 159188779
• Molecular Formula: C131H134F10N30O14S6
• Molecular Weight: 2735.09 g/mol
• Exact Mass: 2732.89
• IUPAC Name: 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide
• SMILES: CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C)nc1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3CC3)cn1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3CCC3)cn1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ncc(S(=O)(=O)NC(C)C)cn1)n2C1CCC1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(OC(F)F)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(OC(F)F)cnc3n2C2CCC2)cc1)C(F)(F)F
• InChI: InChI=1S/C23H25N5O2S.C22H19F5N4O3S.C22H23N5O2S.C22H25N5O2S.C21H18F5N5O3S.C21H24N6O2S/c1-2-15-11-19-20(12-24)22(28(17-7-4-8-17)23(19)26-13-15)21-10-9-18(14-25-21)31(29,30)27-16-5-3-6-16;1-12(22(25,26)27)30-35(32,33)16-7-5-13(6-8-16)19-18(10-28)17-9-15(34-21(23)24)11-29-20(17)31(19)14-3-2-4-14;1-2-14-10-18-19(11-23)21(27(16-4-3-5-16)22(18)25-12-14)20-9-8-17(13-24-20)30(28,29)26-15-6-7-15;1-4-15-10-18-19(11-23)21(27(17-6-5-7-17)22(18)25-12-15)16-8-9-20(24-13-16)30(28,29)26-14(2)3;1-11(21(24,25)26)30-35(32,33)14-5-6-17(28-10-14)18-16(8-27)15-7-13(34-20(22)23)9-29-19(15)31(18)12-3-2-4-12;1-4-14-8-17-18(9-22)19(27(15-6-5-7-15)21(17)25-10-14)20-23-11-16(12-24-20)30(28,29)26-13(2)3/h9-11,13-14,16-17,27H,2-8H2,1H3;5-9,11-12,14,21,30H,2-4H2,1H3;8-10,12-13,15-16,26H,2-7H2,1H3;8-10,12-14,17,26H,4-7H2,1-3H3;5-7,9-12,20,30H,2-4H2,1H3;8,10-13,15,26H,4-7H2,1-3H3/t;12-;;;11-;/m.0..1./s1
• InChIKey: KNUYHLNBTYJIHK-ZZJWDLAESA-N
• XLogP: 24.73
• TPSA: 622.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 38
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2735.09
LogP ≤ 5	24.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide?

The IUPAC name of 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide (CID 159188779) is 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide.

What is the SMILES notation for 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide?

The canonical SMILES for 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide is CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C)nc1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3CC3)cn1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3CCC3)cn1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ncc(S(=O)(=O)NC(C)C)cn1)n2C1CCC1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(OC(F)F)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(OC(F)F)cnc3n2C2CCC2)cc1)C(F)(F)F.

What is the InChIKey of 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide?

The InChIKey is KNUYHLNBTYJIHK-ZZJWDLAESA-N. The full InChI is InChI=1S/C23H25N5O2S.C22H19F5N4O3S.C22H23N5O2S.C22H25N5O2S.C21H18F5N5O3S.C21H24N6O2S/c1-2-15-11-19-20(12-24)22(28(17-7-4-8-17)23(19)26-13-15)21-10-9-18(14-25-21)31(29,30)27-16-5-3-6-16;1-12(22(25,26)27)30-35(32,33)16-7-5-13(6-8-16)19-18(10-28)17-9-15(34-21(23)24)11-29-20(17)31(19)14-3-2-4-14;1-2-14-10-18-19(11-23)21(27(16-4-3-5-16)22(18)25-12-14)20-9-8-17(13-24-20)30(28,29)26-15-6-7-15;1-4-15-10-18-19(11-23)21(27(17-6-5-7-17)22(18)25-12-15)16-8-9-20(24-13-16)30(28,29)26-14(2)3;1-11(21(24,25)26)30-35(32,33)14-5-6-17(28-10-14)18-16(8-27)15-7-13(34-20(22)23)9-29-19(15)31(18)12-3-2-4-12;1-4-14-8-17-18(9-22)19(27(15-6-5-7-15)21(17)25-10-14)20-23-11-16(12-24-20)30(28,29)26-13(2)3/h9-11,13-14,16-17,27H,2-8H2,1H3;5-9,11-12,14,21,30H,2-4H2,1H3;8-10,12-13,15-16,26H,2-7H2,1H3;8-10,12-14,17,26H,4-7H2,1-3H3;5-7,9-12,20,30H,2-4H2,1H3;8,10-13,15,26H,4-7H2,1-3H3/t;12-;;;11-;/m.0..1./s1.

What are the key properties of 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide?

4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide has a molecular weight of 2735.09 g/mol, XLogP of 24.73, 38 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclobutylpyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide;5-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-2-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 159188779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).