6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide

C105H81Cl2F21N30O13S6 — CID 158395603

About 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide

6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 158395603) has the molecular formula C105H81Cl2F21N30O13S6 and a molecular weight of 2633.27 g/mol. Its IUPAC name is 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 158395603
• Molecular Formula: C105H81Cl2F21N30O13S6
• Molecular Weight: 2633.27 g/mol
• Exact Mass: 2630.40
• IUPAC Name: 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ncccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2-c2ccccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2-c2cnccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(S(C)(=O)=O)cnc3n2C2CCCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCC2)nc1)C(F)(F)F
• InChI: InChI=1S/C22H22F3N5O4S2.C21H14ClF3N6O2S.C21H13F6N7O2S.C21H19F6N5O3S.C20H13ClF3N7O2S/c1-13(22(23,24)25)29-36(33,34)15-7-8-19(27-11-15)20-18(10-26)17-9-16(35(2,31)32)12-28-21(17)30(20)14-5-3-4-6-14;1-12(21(23,24)25)30-34(32,33)14-5-6-17(28-11-14)19-16(9-26)15-8-13(22)10-29-20(15)31(19)18-4-2-3-7-27-18;1-11(20(22,23)24)33-37(35,36)13-3-4-16(31-10-13)17-15(8-28)14-7-12(21(25,26)27)9-32-18(14)34(17)19-29-5-2-6-30-19;1-10(20(22,23)24)31-36(34,35)13-5-6-15(29-9-13)17-16(18(28)33)14-7-11(21(25,26)27)8-30-19(14)32(17)12-3-2-4-12;1-11(20(22,23)24)30-34(32,33)13-2-3-16(28-9-13)18-15(7-25)14-6-12(21)8-29-19(14)31(18)17-10-26-4-5-27-17/h7-9,11-14,29H,3-6H2,1-2H3;2-8,10-12,30H,1H3;2-7,9-11,33H,1H3;5-10,12,31H,2-4H2,1H3,(H2,28,33);2-6,8-11,30H,1H3/t13-;12-;11-;10-;11-/m00000/s1
• InChIKey: GXMVNNACNFSQKZ-NGDGBRFISA-N
• XLogP: 19.75
• TPSA: 621.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2633.27
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide (CID 158395603) is 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ncccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2-c2ccccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2-c2cnccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(S(C)(=O)=O)cnc3n2C2CCCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCC2)nc1)C(F)(F)F.

What is the InChIKey of 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is GXMVNNACNFSQKZ-NGDGBRFISA-N. The full InChI is InChI=1S/C22H22F3N5O4S2.C21H14ClF3N6O2S.C21H13F6N7O2S.C21H19F6N5O3S.C20H13ClF3N7O2S/c1-13(22(23,24)25)29-36(33,34)15-7-8-19(27-11-15)20-18(10-26)17-9-16(35(2,31)32)12-28-21(17)30(20)14-5-3-4-6-14;1-12(21(23,24)25)30-34(32,33)14-5-6-17(28-11-14)19-16(9-26)15-8-13(22)10-29-20(15)31(19)18-4-2-3-7-27-18;1-11(20(22,23)24)33-37(35,36)13-3-4-16(31-10-13)17-15(8-28)14-7-12(21(25,26)27)9-32-18(14)34(17)19-29-5-2-6-30-19;1-10(20(22,23)24)31-36(34,35)13-5-6-15(29-9-13)17-16(18(28)33)14-7-11(21(25,26)27)8-30-19(14)32(17)12-3-2-4-12;1-11(20(22,23)24)30-34(32,33)13-2-3-16(28-9-13)18-15(7-25)14-6-12(21)8-29-19(14)31(18)17-10-26-4-5-27-17/h7-9,11-14,29H,3-6H2,1-2H3;2-8,10-12,30H,1H3;2-7,9-11,33H,1H3;5-10,12,31H,2-4H2,1H3,(H2,28,33);2-6,8-11,30H,1H3/t13-;12-;11-;10-;11-/m00000/s1.

What are the key properties of 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2633.27 g/mol, XLogP of 19.75, 27 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloro-3-cyano-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfonylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclobutyl-5-(trifluoromethyl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 158395603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).