2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

C129H121Cl5F14N28O12S6 — CID 157199852

About 2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (PubChem CID 157199852) has the molecular formula C129H121Cl5F14N28O12S6 and a molecular weight of 2891.21 g/mol. Its IUPAC name is 2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
• PubChem CID: 157199852
• Molecular Formula: C129H121Cl5F14N28O12S6
• Molecular Weight: 2891.21 g/mol
• Exact Mass: 2886.63
• IUPAC Name: 2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
• SMILES: CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3cnc(Cl)cc3n2C2CCCC2)nc1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cnc(Cl)cc3n2C2CCCC2)cc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cnc(Cl)cc3n2C2CCCC2)cc1)C(F)(F)F.Cc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc3)n(C3CCC3)c2n1.N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc2)n(C2CCCC2)c2cc(Cl)ncc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(Cl)ncc12
• InChI: InChI=1S/C23H20ClF3N4O2S.2C22H20ClF3N4O2S.C22H21F3N4O2S.C20H19ClF2N6O2S.C20H21ClN6O2S/c24-20-11-19-18(13-29-20)17(12-28)21(31(19)15-3-1-2-4-15)14-5-7-16(8-6-14)34(32,33)30-22(9-10-22)23(25,26)27;2*1-13(22(24,25)26)29-33(31,32)16-8-6-14(7-9-16)21-17(11-27)18-12-28-20(23)10-19(18)30(21)15-4-2-3-5-15;1-13-6-11-18-19(12-26)20(29(21(18)27-13)16-4-3-5-16)15-7-9-17(10-8-15)32(30,31)28-14(2)22(23,24)25;21-18-5-17-16(11-25-18)15(8-24)19(29(17)13-3-1-2-4-13)20-26-9-14(10-27-20)32(30,31)28-12(6-22)7-23;1-12(2)26-30(28,29)14-9-24-20(25-10-14)19-15(8-22)16-11-23-18(21)7-17(16)27(19)13-5-3-4-6-13/h5-8,11,13,15,30H,1-4,9-10H2;2*6-10,12-13,15,29H,2-5H2,1H3;6-11,14,16,28H,3-5H2,1-2H3;5,9-13,28H,1-4,6-7H2;7,9-13,26H,3-6H2,1-2H3/t;2*13-;14-;;/m.100../s1
• InChIKey: AQRFNQMDIZQJNB-SJUDZBMOSA-N
• XLogP: 29.24
• TPSA: 578.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2891.21
LogP ≤ 5	29.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (CID 157199852) is 2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

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

The canonical SMILES for 2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3cnc(Cl)cc3n2C2CCCC2)nc1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cnc(Cl)cc3n2C2CCCC2)cc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cnc(Cl)cc3n2C2CCCC2)cc1)C(F)(F)F.Cc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc3)n(C3CCC3)c2n1.N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc2)n(C2CCCC2)c2cc(Cl)ncc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(Cl)ncc12.

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

The InChIKey is AQRFNQMDIZQJNB-SJUDZBMOSA-N. The full InChI is InChI=1S/C23H20ClF3N4O2S.2C22H20ClF3N4O2S.C22H21F3N4O2S.C20H19ClF2N6O2S.C20H21ClN6O2S/c24-20-11-19-18(13-29-20)17(12-28)21(31(19)15-3-1-2-4-15)14-5-7-16(8-6-14)34(32,33)30-22(9-10-22)23(25,26)27;2*1-13(22(24,25)26)29-33(31,32)16-8-6-14(7-9-16)21-17(11-27)18-12-28-20(23)10-19(18)30(21)15-4-2-3-5-15;1-13-6-11-18-19(12-26)20(29(21(18)27-13)16-4-3-5-16)15-7-9-17(10-8-15)32(30,31)28-14(2)22(23,24)25;21-18-5-17-16(11-25-18)15(8-24)19(29(17)13-3-1-2-4-13)20-26-9-14(10-27-20)32(30,31)28-12(6-22)7-23;1-12(2)26-30(28,29)14-9-24-20(25-10-14)19-15(8-22)16-11-23-18(21)7-17(16)27(19)13-5-3-4-6-13/h5-8,11,13,15,30H,1-4,9-10H2;2*6-10,12-13,15,29H,2-5H2,1H3;6-11,14,16,28H,3-5H2,1-2H3;5,9-13,28H,1-4,6-7H2;7,9-13,26H,3-6H2,1-2H3/t;2*13-;14-;;/m.100../s1.

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

2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide has a molecular weight of 2891.21 g/mol, XLogP of 29.24, 32 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 157199852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).