6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C107H84ClF16N29O10S7 — CID 159018705

About 6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159018705) has the molecular formula C107H84ClF16N29O10S7 and a molecular weight of 2499.93 g/mol. Its IUPAC name is 6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[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-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 159018705
• Molecular Formula: C107H84ClF16N29O10S7
• Molecular Weight: 2499.93 g/mol
• Exact Mass: 2497.44
• IUPAC Name: 6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2-c2nccs2)nc1)C(F)(F)F.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccncn1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cncs1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CCC3)cc2)n(C2CCCCC2)c2ncc(C(F)(F)F)cc12
• InChI: InChI=1S/C25H25F3N4O2S.C22H16F4N6O2S.C21H16F3N7O2S.C20H15F3N6O2S2.C19H12ClF3N6O2S2/c26-25(27,28)17-13-21-22(14-29)23(32(24(21)30-15-17)19-5-2-1-3-6-19)16-9-11-18(12-10-16)31-35(33,34)20-7-4-8-20;1-12-7-16-17(8-27)20(32(21(16)30-9-12)19-6-3-14(23)10-29-19)18-5-4-15(11-28-18)35(33,34)31-13(2)22(24,25)26;1-12-7-15-16(8-25)19(31(20(15)28-9-12)18-5-6-26-11-29-18)17-4-3-14(10-27-17)34(32,33)30-13(2)21(22,23)24;1-11-5-14-15(6-24)18(29(19(14)27-7-11)17-9-25-10-32-17)16-4-3-13(8-26-16)33(30,31)28-12(2)20(21,22)23;1-10(19(21,22)23)28-33(30,31)12-2-3-15(26-9-12)16-14(7-24)13-6-11(20)8-27-17(13)29(16)18-25-4-5-32-18/h9-13,15,19-20,31H,1-8H2;3-7,9-11,13,31H,1-2H3;3-7,9-11,13,30H,1-2H3;3-5,7-10,12,28H,1-2H3;2-6,8-10,28H,1H3/t;2*13-;12-;10-/m.0000/s1
• InChIKey: JTKMPWBJQWOPQJ-NBDWOTNNSA-N
• XLogP: 21.96
• TPSA: 554.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2499.93
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[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-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 159018705) is 6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[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-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[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-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2-c2nccs2)nc1)C(F)(F)F.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccncn1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cncs1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CCC3)cc2)n(C2CCCCC2)c2ncc(C(F)(F)F)cc12.

What is the InChIKey of 6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is JTKMPWBJQWOPQJ-NBDWOTNNSA-N. The full InChI is InChI=1S/C25H25F3N4O2S.C22H16F4N6O2S.C21H16F3N7O2S.C20H15F3N6O2S2.C19H12ClF3N6O2S2/c26-25(27,28)17-13-21-22(14-29)23(32(24(21)30-15-17)19-5-2-1-3-6-19)16-9-11-18(12-10-16)31-35(33,34)20-7-4-8-20;1-12-7-16-17(8-27)20(32(21(16)30-9-12)19-6-3-14(23)10-29-19)18-5-4-15(11-28-18)35(33,34)31-13(2)22(24,25)26;1-12-7-15-16(8-25)19(31(20(15)28-9-12)18-5-6-26-11-29-18)17-4-3-14(10-27-17)34(32,33)30-13(2)21(22,23)24;1-11-5-14-15(6-24)18(29(19(14)27-7-11)17-9-25-10-32-17)16-4-3-13(8-26-16)33(30,31)28-12(2)20(21,22)23;1-10(19(21,22)23)28-33(30,31)12-2-3-15(26-9-12)16-14(7-24)13-6-11(20)8-27-17(13)29(16)18-25-4-5-32-18/h9-13,15,19-20,31H,1-8H2;3-7,9-11,13,31H,1-2H3;3-7,9-11,13,30H,1-2H3;3-5,7-10,12,28H,1-2H3;2-6,8-10,28H,1H3/t;2*13-;12-;10-/m.0000/s1.

What are the key properties of 6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2499.93 g/mol, XLogP of 21.96, 25 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-chloro-3-cyano-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]cyclobutanesulfonamide;6-[3-cyano-1-(5-fluoro-2-pyridinyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-methyl-1-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 159018705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).