N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C131H131ClF9N31O15S7 — CID 159411537

About N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159411537) has the molecular formula C131H131ClF9N31O15S7 and a molecular weight of 2810.59 g/mol. Its IUPAC name is N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 159411537
• Molecular Formula: C131H131ClF9N31O15S7
• Molecular Weight: 2810.59 g/mol
• Exact Mass: 2807.80
• IUPAC Name: N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCC1.COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C)CC3)cn1)n2C1CCCC1.COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCCC1.CSc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCC1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2-c2ncccn2)nc1)C(F)(F)F.Cc1cnc2c(c1)c(C#N)c(-c1ccc(NS(=O)(=O)C(C)C)cc1)n2C1CCC1
• InChI: InChI=1S/C23H25N5O3S.C22H22F3N5O3S.C22H22F3N5O2S2.C22H25N5O3S.C22H24N4O2S.C20H13ClF3N7O2S/c1-23(9-10-23)27-32(29,30)17-7-8-20(25-14-17)21-19(12-24)18-11-16(31-2)13-26-22(18)28(21)15-5-3-4-6-15;2*1-13(22(23,24)25)29-34(31,32)16-7-8-19(27-12-16)20-18(10-26)17-9-15(33-2)11-28-21(17)30(20)14-5-3-4-6-14;1-22(2,3)26-31(28,29)16-8-9-19(24-13-16)20-18(11-23)17-10-15(30-4)12-25-21(17)27(20)14-6-5-7-14;1-14(2)29(27,28)25-17-9-7-16(8-10-17)21-20(12-23)19-11-15(3)13-24-22(19)26(21)18-5-4-6-18;1-11(20(22,23)24)30-34(32,33)13-3-4-16(28-10-13)17-15(8-25)14-7-12(21)9-29-18(14)31(17)19-26-5-2-6-27-19/h7-8,11,13-15,27H,3-6,9-10H2,1-2H3;2*7-9,11-14,29H,3-6H2,1-2H3;8-10,12-14,26H,5-7H2,1-4H3;7-11,13-14,18,25H,4-6H2,1-3H3;2-7,9-11,30H,1H3/t;2*13-;;;11-/m.10..0/s1
• InChIKey: LOQFBKTVPAIWCV-MPVGSRQBSA-N
• XLogP: 25.45
• TPSA: 644.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 33
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2810.59
LogP ≤ 5	25.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 159411537) is N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[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-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCC1.COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C)CC3)cn1)n2C1CCCC1.COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCCC1.CSc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCC1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)cnc3n2-c2ncccn2)nc1)C(F)(F)F.Cc1cnc2c(c1)c(C#N)c(-c1ccc(NS(=O)(=O)C(C)C)cc1)n2C1CCC1.

What is the InChIKey of N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is LOQFBKTVPAIWCV-MPVGSRQBSA-N. The full InChI is InChI=1S/C23H25N5O3S.C22H22F3N5O3S.C22H22F3N5O2S2.C22H25N5O3S.C22H24N4O2S.C20H13ClF3N7O2S/c1-23(9-10-23)27-32(29,30)17-7-8-20(25-14-17)21-19(12-24)18-11-16(31-2)13-26-22(18)28(21)15-5-3-4-6-15;2*1-13(22(23,24)25)29-34(31,32)16-7-8-19(27-12-16)20-18(10-26)17-9-15(33-2)11-28-21(17)30(20)14-5-3-4-6-14;1-22(2,3)26-31(28,29)16-8-9-19(24-13-16)20-18(11-23)17-10-15(30-4)12-25-21(17)27(20)14-6-5-7-14;1-14(2)29(27,28)25-17-9-7-16(8-10-17)21-20(12-23)19-11-15(3)13-24-22(19)26(21)18-5-4-6-18;1-11(20(22,23)24)30-34(32,33)13-3-4-16(28-10-13)17-15(8-25)14-7-12(21)9-29-18(14)31(17)19-26-5-2-6-27-19/h7-8,11,13-15,27H,3-6,9-10H2,1-2H3;2*7-9,11-14,29H,3-6H2,1-2H3;8-10,12-14,26H,5-7H2,1-4H3;7-11,13-14,18,25H,4-6H2,1-3H3;2-7,9-11,30H,1H3/t;2*13-;;;11-/m.10..0/s1.

What are the key properties of N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2810.59 g/mol, XLogP of 25.45, 33 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)phenyl]propane-2-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 159411537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).