6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide

C130H108F12N36O12S6 — CID 158168336

About 6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide

6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide (PubChem CID 158168336) has the molecular formula C130H108F12N36O12S6 and a molecular weight of 2786.91 g/mol. Its IUPAC name is 6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide.

Molecular Properties

• Compound Name: 6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
• PubChem CID: 158168336
• Molecular Formula: C130H108F12N36O12S6
• Molecular Weight: 2786.91 g/mol
• Exact Mass: 2784.71
• IUPAC Name: 6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
• SMILES: CC1(NS(=O)(=O)c2ccc(-c3c(C#N)c4cc(C#N)cnc4n3C3CCC3)nc2)CC1.CC1(NS(=O)(=O)c2cnc(-c3c(C#N)c4cc(C#N)cnc4n3C3CCC3)nc2)CC1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C#N)cnc3n2C2CCC2)cc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(C#N)cnc3n2C2CCC2)nc1)C(F)(F)F.N#Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc1)n2C1CCC1.N#Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn1)n2C1CCC1
• InChI: InChI=1S/C23H18F3N5O2S.C22H17F3N6O2S.C22H18F3N5O2S.C22H20N6O2S.C21H19N7O2S.C20H16F3N7O2S/c24-23(25,26)22(8-9-22)30-34(32,33)17-6-4-15(5-7-17)20-19(12-28)18-10-14(11-27)13-29-21(18)31(20)16-2-1-3-16;23-22(24,25)21(6-7-21)30-34(32,33)15-4-5-18(28-12-15)19-17(10-27)16-8-13(9-26)11-29-20(16)31(19)14-2-1-3-14;1-13(22(23,24)25)29-33(31,32)17-7-5-15(6-8-17)20-19(11-27)18-9-14(10-26)12-28-21(18)30(20)16-3-2-4-16;1-22(7-8-22)27-31(29,30)16-5-6-19(25-13-16)20-18(11-24)17-9-14(10-23)12-26-21(17)28(20)15-3-2-4-15;1-21(5-6-21)27-31(29,30)15-11-24-19(25-12-15)18-17(9-23)16-7-13(8-22)10-26-20(16)28(18)14-3-2-4-14;1-11(20(21,22)23)29-33(31,32)14-9-26-18(27-10-14)17-16(7-25)15-5-12(6-24)8-28-19(15)30(17)13-3-2-4-13/h4-7,10,13,16,30H,1-3,8-9H2;4-5,8,11-12,14,30H,1-3,6-7H2;5-9,12-13,16,29H,2-4H2,1H3;5-6,9,12-13,15,27H,2-4,7-8H2,1H3;7,10-12,14,27H,2-6H2,1H3;5,8-11,13,29H,2-4H2,1H3/t;;13-;;;11-/m..0..0/s1
• InChIKey: FXCYHXUYRDFHIC-ZDHCQAFOSA-N
• XLogP: 22.27
• TPSA: 746.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 30
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2786.91
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

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

The IUPAC name of 6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide (CID 158168336) is 6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide.

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

The canonical SMILES for 6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide is CC1(NS(=O)(=O)c2ccc(-c3c(C#N)c4cc(C#N)cnc4n3C3CCC3)nc2)CC1.CC1(NS(=O)(=O)c2cnc(-c3c(C#N)c4cc(C#N)cnc4n3C3CCC3)nc2)CC1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C#N)cnc3n2C2CCC2)cc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(C#N)cnc3n2C2CCC2)nc1)C(F)(F)F.N#Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc1)n2C1CCC1.N#Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn1)n2C1CCC1.

What is the InChIKey of 6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?

The InChIKey is FXCYHXUYRDFHIC-ZDHCQAFOSA-N. The full InChI is InChI=1S/C23H18F3N5O2S.C22H17F3N6O2S.C22H18F3N5O2S.C22H20N6O2S.C21H19N7O2S.C20H16F3N7O2S/c24-23(25,26)22(8-9-22)30-34(32,33)17-6-4-15(5-7-17)20-19(12-28)18-10-14(11-27)13-29-21(18)31(20)16-2-1-3-16;23-22(24,25)21(6-7-21)30-34(32,33)15-4-5-18(28-12-15)19-17(10-27)16-8-13(9-26)11-29-20(16)31(19)14-2-1-3-14;1-13(22(23,24)25)29-33(31,32)17-7-5-15(6-8-17)20-19(11-27)18-9-14(10-26)12-28-21(18)30(20)16-3-2-4-16;1-22(7-8-22)27-31(29,30)16-5-6-19(25-13-16)20-18(11-24)17-9-14(10-23)12-26-21(17)28(20)15-3-2-4-15;1-21(5-6-21)27-31(29,30)15-11-24-19(25-12-15)18-17(9-23)16-7-13(8-22)10-26-20(16)28(18)14-3-2-4-14;1-11(20(21,22)23)29-33(31,32)14-9-26-18(27-10-14)17-16(7-25)15-5-12(6-24)8-28-19(15)30(17)13-3-2-4-13/h4-7,10,13,16,30H,1-3,8-9H2;4-5,8,11-12,14,30H,1-3,6-7H2;5-9,12-13,16,29H,2-4H2,1H3;5-6,9,12-13,15,27H,2-4,7-8H2,1H3;7,10-12,14,27H,2-6H2,1H3;5,8-11,13,29H,2-4H2,1H3/t;;13-;;;11-/m..0..0/s1.

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

6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide has a molecular weight of 2786.91 g/mol, XLogP of 22.27, 30 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;2-(3,5-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 158168336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).