6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C119H110Cl3F14N33O13S6 — CID 157323093

About 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 157323093) has the molecular formula C119H110Cl3F14N33O13S6 and a molecular weight of 2775.14 g/mol. Its IUPAC name is 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 157323093
• Molecular Formula: C119H110Cl3F14N33O13S6
• Molecular Weight: 2775.14 g/mol
• Exact Mass: 2771.61
• IUPAC Name: 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: COc1ccc2c(n1)c(C#N)c(-c1ccc(S(=O)(=O)NC(CF)CF)cn1)n2C1CCC1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cccnc3n2C2CCC2)nc1)C(F)(F)F.N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2ncc(Cl)cc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2ncc(Cl)cc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2ncc(F)cc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2ncc(Cl)cc12
• InChI: InChI=1S/C21H21F2N5O3S.C20H19ClF2N6O2S.C20H18ClF2N5O2S.C20H18F3N5O2S.C19H17ClF2N6O2S.C19H17F3N6O2S/c1-31-19-8-7-18-20(26-19)16(11-24)21(28(18)14-3-2-4-14)17-6-5-15(12-25-17)32(29,30)27-13(9-22)10-23;21-12-5-16-17(8-24)18(29(20(16)27-9-12)14-3-1-2-4-14)19-25-10-15(11-26-19)32(30,31)28-13(6-22)7-23;21-12-6-16-17(9-24)19(28(14-2-1-3-14)20(16)26-10-12)18-5-4-15(11-25-18)31(29,30)27-13(7-22)8-23;1-12(20(21,22)23)27-31(29,30)14-7-8-17(26-11-14)18-16(10-24)15-6-3-9-25-19(15)28(18)13-4-2-5-13;20-11-4-15-16(7-23)17(28(13-2-1-3-13)19(15)26-8-11)18-24-9-14(10-25-18)31(29,30)27-12(5-21)6-22;20-5-12(6-21)27-31(29,30)14-9-24-18(25-10-14)17-16(7-23)15-4-11(22)8-26-19(15)28(17)13-2-1-3-13/h5-8,12-14,27H,2-4,9-10H2,1H3;5,9-11,13-14,28H,1-4,6-7H2;4-6,10-11,13-14,27H,1-3,7-8H2;3,6-9,11-13,27H,2,4-5H2,1H3;2*4,8-10,12-13,27H,1-3,5-6H2/t;;;12-;;/m...0../s1
• InChIKey: BEKAVSKLOKEWBK-GETZRCFYSA-N
• XLogP: 21.01
• TPSA: 651.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 41
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2775.14
LogP ≤ 5	21.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 157323093) is 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is COc1ccc2c(n1)c(C#N)c(-c1ccc(S(=O)(=O)NC(CF)CF)cn1)n2C1CCC1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cccnc3n2C2CCC2)nc1)C(F)(F)F.N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2ncc(Cl)cc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2ncc(Cl)cc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2ncc(F)cc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2ncc(Cl)cc12.

What is the InChIKey of 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is BEKAVSKLOKEWBK-GETZRCFYSA-N. The full InChI is InChI=1S/C21H21F2N5O3S.C20H19ClF2N6O2S.C20H18ClF2N5O2S.C20H18F3N5O2S.C19H17ClF2N6O2S.C19H17F3N6O2S/c1-31-19-8-7-18-20(26-19)16(11-24)21(28(18)14-3-2-4-14)17-6-5-15(12-25-17)32(29,30)27-13(9-22)10-23;21-12-5-16-17(8-24)18(29(20(16)27-9-12)14-3-1-2-4-14)19-25-10-15(11-26-19)32(30,31)28-13(6-22)7-23;21-12-6-16-17(9-24)19(28(14-2-1-3-14)20(16)26-10-12)18-5-4-15(11-25-18)31(29,30)27-13(7-22)8-23;1-12(20(21,22)23)27-31(29,30)14-7-8-17(26-11-14)18-16(10-24)15-6-3-9-25-19(15)28(18)13-4-2-5-13;20-11-4-15-16(7-23)17(28(13-2-1-3-13)19(15)26-8-11)18-24-9-14(10-25-18)31(29,30)27-12(5-21)6-22;20-5-12(6-21)27-31(29,30)14-9-24-18(25-10-14)17-16(7-23)15-4-11(22)8-26-19(15)28(17)13-2-1-3-13/h5-8,12-14,27H,2-4,9-10H2,1H3;5,9-11,13-14,28H,1-4,6-7H2;4-6,10-11,13-14,27H,1-3,7-8H2;3,6-9,11-13,27H,2,4-5H2,1H3;2*4,8-10,12-13,27H,1-3,5-6H2/t;;;12-;;/m...0../s1.

What are the key properties of 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2775.14 g/mol, XLogP of 21.01, 41 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 157323093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).