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

C107H81F16N31O10S6 — CID 157345901

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

6-[3-cyano-1-(5-fluoro-2-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 157345901) has the molecular formula C107H81F16N31O10S6 and a molecular weight of 2457.40 g/mol. Its IUPAC name is 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 157345901
• Molecular Formula: C107H81F16N31O10S6
• Molecular Weight: 2457.40 g/mol
• Exact Mass: 2455.49
• IUPAC Name: 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccc(F)cn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccccn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cccnc3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cncnc3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cscn3)c2c1
• InChI: InChI=1S/C22H16F4N6O2S.2C22H17F3N6O2S.C21H16F3N7O2S.C20H15F3N6O2S2/c1-12-7-18-20(30-9-12)16(8-27)21(32(18)19-6-3-14(23)10-29-19)17-5-4-15(11-28-17)35(33,34)31-13(2)22(24,25)26;1-13-8-19-20(29-10-13)17(9-26)21(31(19)15-4-3-7-27-11-15)18-6-5-16(12-28-18)34(32,33)30-14(2)22(23,24)25;1-13-9-18-20(29-11-13)16(10-26)21(31(18)19-5-3-4-8-27-19)17-7-6-15(12-28-17)34(32,33)30-14(2)22(23,24)25;1-12-5-18-19(29-7-12)16(6-25)20(31(18)14-8-26-11-27-9-14)17-4-3-15(10-28-17)34(32,33)30-13(2)21(22,23)24;1-11-5-16-18(26-7-11)14(6-24)19(29(16)17-9-32-10-27-17)15-4-3-13(8-25-15)33(30,31)28-12(2)20(21,22)23/h3-7,9-11,13,31H,1-2H3;3-8,10-12,14,30H,1-2H3;3-9,11-12,14,30H,1-2H3;3-5,7-11,13,30H,1-2H3;3-5,7-10,12,28H,1-2H3/t13-;2*14-;13-;12-/m00000/s1
• InChIKey: BGYSZQIGJDTSEJ-YFJWCPHRSA-N
• XLogP: 19.05
• TPSA: 580.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2457.40
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

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

The IUPAC name of 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 157345901) is 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccc(F)cn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccccn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cccnc3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cncnc3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3cscn3)c2c1.

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

The InChIKey is BGYSZQIGJDTSEJ-YFJWCPHRSA-N. The full InChI is InChI=1S/C22H16F4N6O2S.2C22H17F3N6O2S.C21H16F3N7O2S.C20H15F3N6O2S2/c1-12-7-18-20(30-9-12)16(8-27)21(32(18)19-6-3-14(23)10-29-19)17-5-4-15(11-28-17)35(33,34)31-13(2)22(24,25)26;1-13-8-19-20(29-10-13)17(9-26)21(31(19)15-4-3-7-27-11-15)18-6-5-16(12-28-18)34(32,33)30-14(2)22(23,24)25;1-13-9-18-20(29-11-13)16(10-26)21(31(18)19-5-3-4-8-27-19)17-7-6-15(12-28-17)34(32,33)30-14(2)22(23,24)25;1-12-5-18-19(29-7-12)16(6-25)20(31(18)14-8-26-11-27-9-14)17-4-3-15(10-28-17)34(32,33)30-13(2)21(22,23)24;1-11-5-16-18(26-7-11)14(6-24)19(29(16)17-9-32-10-27-17)15-4-3-13(8-25-15)33(30,31)28-12(2)20(21,22)23/h3-7,9-11,13,31H,1-2H3;3-8,10-12,14,30H,1-2H3;3-9,11-12,14,30H,1-2H3;3-5,7-11,13,30H,1-2H3;3-5,7-10,12,28H,1-2H3/t13-;2*14-;13-;12-/m00000/s1.

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

6-[3-cyano-1-(5-fluoro-2-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2457.40 g/mol, XLogP of 19.05, 25 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-cyano-1-(5-fluoro-2-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-2-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-3-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-methyl-1-(1,3-thiazol-4-yl)pyrrolo[3,2-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 157345901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).