6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide

C111H89BrF21N31O11S5 — CID 159972251

About 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide

6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 159972251) has the molecular formula C111H89BrF21N31O11S5 and a molecular weight of 2672.34 g/mol. Its IUPAC name is 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 159972251
• Molecular Formula: C111H89BrF21N31O11S5
• Molecular Weight: 2672.34 g/mol
• Exact Mass: 2669.48
• IUPAC Name: 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: C[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)cc1)C(F)(F)F.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cc(C(F)(F)F)ccn1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cc(N)ccn1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccnnc1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncc(Br)cn1
• InChI: InChI=1S/C24H24F6N4O3S.C23H16F6N6O2S.C22H18F3N7O2S.C21H15BrF3N7O2S.C21H16F3N7O2S/c1-13(23(25,26)27)33-38(36,37)17-9-7-14(8-10-17)20-19(21(31)35)18-11-15(24(28,29)30)12-32-22(18)34(20)16-5-3-2-4-6-16;1-12-7-16-17(9-30)20(18-4-3-15(11-32-18)38(36,37)34-13(2)22(24,25)26)35(21(16)33-10-12)19-8-14(5-6-31-19)23(27,28)29;1-12-7-16-17(9-26)20(32(21(16)30-10-12)19-8-14(27)5-6-28-19)18-4-3-15(11-29-18)35(33,34)31-13(2)22(23,24)25;1-11-5-15-16(6-26)18(32(19(15)28-7-11)20-29-8-13(22)9-30-20)17-4-3-14(10-27-17)35(33,34)31-12(2)21(23,24)25;1-12-7-16-17(8-25)19(31(20(16)27-9-12)14-5-6-28-29-10-14)18-4-3-15(11-26-18)34(32,33)30-13(2)21(22,23)24/h7-13,16,33H,2-6H2,1H3,(H2,31,35);3-8,10-11,13,34H,1-2H3;3-8,10-11,13,31H,1-2H3,(H2,27,28);3-5,7-10,12,31H,1-2H3;3-7,9-11,13,30H,1-2H3/t3*13-;12-;13-/m00000/s1
• InChIKey: OERUOTBATFQAHH-HKKALIEJSA-N
• XLogP: 21.28
• TPSA: 613.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2672.34
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide (CID 159972251) is 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)cc1)C(F)(F)F.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cc(C(F)(F)F)ccn1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cc(N)ccn1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccnnc1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncc(Br)cn1.

What is the InChIKey of 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is OERUOTBATFQAHH-HKKALIEJSA-N. The full InChI is InChI=1S/C24H24F6N4O3S.C23H16F6N6O2S.C22H18F3N7O2S.C21H15BrF3N7O2S.C21H16F3N7O2S/c1-13(23(25,26)27)33-38(36,37)17-9-7-14(8-10-17)20-19(21(31)35)18-11-15(24(28,29)30)12-32-22(18)34(20)16-5-3-2-4-6-16;1-12-7-16-17(9-30)20(18-4-3-15(11-32-18)38(36,37)34-13(2)22(24,25)26)35(21(16)33-10-12)19-8-14(5-6-31-19)23(27,28)29;1-12-7-16-17(9-26)20(32(21(16)30-10-12)19-8-14(27)5-6-28-19)18-4-3-15(11-29-18)35(33,34)31-13(2)22(23,24)25;1-11-5-15-16(6-26)18(32(19(15)28-7-11)20-29-8-13(22)9-30-20)17-4-3-14(10-27-17)35(33,34)31-12(2)21(23,24)25;1-12-7-16-17(8-25)19(31(20(16)27-9-12)14-5-6-28-29-10-14)18-4-3-15(11-26-18)34(32,33)30-13(2)21(22,23)24/h7-13,16,33H,2-6H2,1H3,(H2,31,35);3-8,10-11,13,34H,1-2H3;3-8,10-11,13,31H,1-2H3,(H2,27,28);3-5,7-10,12,31H,1-2H3;3-7,9-11,13,30H,1-2H3/t3*13-;12-;13-/m00000/s1.

What are the key properties of 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide?

6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2672.34 g/mol, XLogP of 21.28, 26 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(4-amino-2-pyridinyl)-3-cyano-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-(5-bromopyrimidin-2-yl)-3-cyano-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-pyridazin-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-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 159972251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).