N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C116H107F7N28O12S5 — CID 157148321

About N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 157148321) has the molecular formula C116H107F7N28O12S5 and a molecular weight of 2378.64 g/mol. Its IUPAC name is N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 157148321
• Molecular Formula: C116H107F7N28O12S5
• Molecular Weight: 2378.64 g/mol
• Exact Mass: 2376.71
• IUPAC Name: N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2cnccn2)nc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2-c2ccccc2)nc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)cnc3n2-c2ccccc2)nc1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccc1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccn1
• InChI: InChI=1S/C24H22F3N5O3S.C24H23N5O2S.C23H22FN5O3S.C23H22N6O2S.C22H18F3N7O2S/c1-23(2,3)31-36(34,35)16-9-10-18(29-13-16)20-19(21(28)33)17-11-14(24(25,26)27)12-30-22(17)32(20)15-7-5-4-6-8-15;1-16-12-19-20(13-25)22(29(23(19)27-14-16)17-8-6-5-7-9-17)21-11-10-18(15-26-21)32(30,31)28-24(2,3)4;1-23(2,3)28-33(31,32)16-9-10-18(26-13-16)20-19(21(25)30)17-11-14(24)12-27-22(17)29(20)15-7-5-4-6-8-15;1-15-11-17-18(12-24)21(29(22(17)27-13-15)20-7-5-6-10-25-20)19-9-8-16(14-26-19)32(30,31)28-23(2,3)4;1-21(2,3)31-35(33,34)14-4-5-17(29-11-14)19-16(9-26)15-8-13(22(23,24)25)10-30-20(15)32(19)18-12-27-6-7-28-18/h4-13,31H,1-3H3,(H2,28,33);5-12,14-15,28H,1-4H3;4-13,28H,1-3H3,(H2,25,30);5-11,13-14,28H,1-4H3;4-8,10-12,31H,1-3H3
• InChIKey: AKYSMMOUTHTFQU-UHFFFAOYSA-N
• XLogP: 19.61
• TPSA: 580.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.64
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 157148321) is N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2cnccn2)nc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2-c2ccccc2)nc1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)cnc3n2-c2ccccc2)nc1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccc1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccn1.

What is the InChIKey of N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is AKYSMMOUTHTFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3S.C24H23N5O2S.C23H22FN5O3S.C23H22N6O2S.C22H18F3N7O2S/c1-23(2,3)31-36(34,35)16-9-10-18(29-13-16)20-19(21(28)33)17-11-14(24(25,26)27)12-30-22(17)32(20)15-7-5-4-6-8-15;1-16-12-19-20(13-25)22(29(23(19)27-14-16)17-8-6-5-7-9-17)21-11-10-18(15-26-21)32(30,31)28-24(2,3)4;1-23(2,3)28-33(31,32)16-9-10-18(26-13-16)20-19(21(25)30)17-11-14(24)12-27-22(17)29(20)15-7-5-4-6-8-15;1-15-11-17-18(12-24)21(29(22(17)27-13-15)20-7-5-6-10-25-20)19-9-8-16(14-26-19)32(30,31)28-23(2,3)4;1-21(2,3)31-35(33,34)14-4-5-17(29-11-14)19-16(9-26)15-8-13(22(23,24)25)10-30-20(15)32(19)18-12-27-6-7-28-18/h4-13,31H,1-3H3,(H2,28,33);5-12,14-15,28H,1-4H3;4-13,28H,1-3H3,(H2,25,30);5-11,13-14,28H,1-4H3;4-8,10-12,31H,1-3H3.

What are the key properties of N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?

N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2378.64 g/mol, XLogP of 19.61, 22 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-6-(3-cyano-5-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-(3-cyano-5-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridine-3-sulfonamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-5-fluoro-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide;2-[5-(tert-butylsulfamoyl)-2-pyridinyl]-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 157148321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).