N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C112H89ClF21N29O14S5 — CID 159052815

About N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159052815) has the molecular formula C112H89ClF21N29O14S5 and a molecular weight of 2659.88 g/mol. Its IUPAC name is N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 159052815
• Molecular Formula: C112H89ClF21N29O14S5
• Molecular Weight: 2659.88 g/mol
• Exact Mass: 2657.51
• IUPAC Name: N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2cnccn2)cc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ncccn2)cc1.CC(C)(NS(=O)(=O)c1ccc(-c2c(C(=O)O)c3cc(Cl)cnc3n2C2CCC2)nc1)C(F)(F)F.COc1ccc(-n2c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)c(C#N)c3cc(C(F)(F)F)cnc32)nc1.COc1ccnc(-n2c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)c(C#N)c3cc(C(F)(F)F)cnc32)n1
• InChI: InChI=1S/C23H16F6N6O3S.2C23H19F3N6O2S.C22H15F6N7O3S.C21H20ClF3N4O4S/c1-12(22(24,25)26)34-39(36,37)15-4-5-18(31-11-15)20-17(8-30)16-7-13(23(27,28)29)9-33-21(16)35(20)19-6-3-14(38-2)10-32-19;1-22(2,3)31-35(33,34)16-7-5-14(6-8-16)19-18(12-27)17-11-15(23(24,25)26)13-30-20(17)32(19)21-28-9-4-10-29-21;1-22(2,3)31-35(33,34)16-6-4-14(5-7-16)20-18(11-27)17-10-15(23(24,25)26)12-30-21(17)32(20)19-13-28-8-9-29-19;1-11(21(23,24)25)34-39(36,37)13-3-4-16(31-10-13)18-15(8-29)14-7-12(22(26,27)28)9-32-19(14)35(18)20-30-6-5-17(33-20)38-2;1-20(2,21(23,24)25)28-34(32,33)13-6-7-15(26-10-13)17-16(19(30)31)14-8-11(22)9-27-18(14)29(17)12-4-3-5-12/h3-7,9-12,34H,1-2H3;4-11,13,31H,1-3H3;4-10,12-13,31H,1-3H3;3-7,9-11,34H,1-2H3;6-10,12,28H,3-5H2,1-2H3,(H,30,31)/t12-;;;11-;/m0..0./s1
• InChIKey: JXMDKKOXRSIMPR-NSAJBUFWSA-N
• XLogP: 22.31
• TPSA: 599.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2659.88
LogP ≤ 5	22.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 159052815) is N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2cnccn2)cc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ncccn2)cc1.CC(C)(NS(=O)(=O)c1ccc(-c2c(C(=O)O)c3cc(Cl)cnc3n2C2CCC2)nc1)C(F)(F)F.COc1ccc(-n2c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)c(C#N)c3cc(C(F)(F)F)cnc32)nc1.COc1ccnc(-n2c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)c(C#N)c3cc(C(F)(F)F)cnc32)n1.

What is the InChIKey of N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is JXMDKKOXRSIMPR-NSAJBUFWSA-N. The full InChI is InChI=1S/C23H16F6N6O3S.2C23H19F3N6O2S.C22H15F6N7O3S.C21H20ClF3N4O4S/c1-12(22(24,25)26)34-39(36,37)15-4-5-18(31-11-15)20-17(8-30)16-7-13(23(27,28)29)9-33-21(16)35(20)19-6-3-14(38-2)10-32-19;1-22(2,3)31-35(33,34)16-7-5-14(6-8-16)19-18(12-27)17-11-15(23(24,25)26)13-30-20(17)32(19)21-28-9-4-10-29-21;1-22(2,3)31-35(33,34)16-6-4-14(5-7-16)20-18(11-27)17-10-15(23(24,25)26)12-30-21(17)32(20)19-13-28-8-9-29-19;1-11(21(23,24)25)34-39(36,37)13-3-4-16(31-10-13)18-15(8-29)14-7-12(22(26,27)28)9-32-19(14)35(18)20-30-6-5-17(33-20)38-2;1-20(2,21(23,24)25)28-34(32,33)13-6-7-15(26-10-13)17-16(19(30)31)14-8-11(22)9-27-18(14)29(17)12-4-3-5-12/h3-7,9-12,34H,1-2H3;4-11,13,31H,1-3H3;4-10,12-13,31H,1-3H3;3-7,9-11,34H,1-2H3;6-10,12,28H,3-5H2,1-2H3,(H,30,31)/t12-;;;11-;/m0..0./s1.

What are the key properties of N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2659.88 g/mol, XLogP of 22.31, 26 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-4-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;N-tert-butyl-4-[3-cyano-1-pyrimidin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;5-chloro-1-cyclobutyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;6-[3-cyano-1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(4-methoxypyrimidin-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 159052815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).