N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C128H128F12N30O15S6 — CID 159070052

About N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159070052) has the molecular formula C128H128F12N30O15S6 and a molecular weight of 2747.00 g/mol. Its IUPAC name is N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 159070052
• Molecular Formula: C128H128F12N30O15S6
• Molecular Weight: 2747.00 g/mol
• Exact Mass: 2744.83
• IUPAC Name: N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3)n(C3CCC3)c2n1.COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cc3)n(C3CCC3)c2n1.COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCC1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2C2CCC2)nc1)C(F)(F)F.Cc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C4CC4)cn3)n(C3CCC3)c2n1.Cc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1
• InChI: InChI=1S/C23H26N4O3S.C22H22F2N4O3S.C22H24N6O2S.C21H20F3N5O3S.C20H17F4N5O2S.C20H19F3N6O2S/c1-23(2,3)26-31(28,29)17-10-8-15(9-11-17)21-19(14-24)18-12-13-20(30-4)25-22(18)27(21)16-6-5-7-16;1-31-20-10-9-18-19(13-25)21(28(22(18)26-20)16-3-2-4-16)14-5-7-17(8-6-14)32(29,30)27-15(11-23)12-24;1-13(15-6-7-15)27-31(29,30)17-8-9-20(25-11-17)21-18(10-23)19-12-24-14(2)26-22(19)28(21)16-4-3-5-16;1-12(21(22,23)24)28-33(30,31)15-6-7-18(26-11-15)19-17(9-25)16-8-14(32-2)10-27-20(16)29(19)13-4-3-5-13;1-11(20(22,23)24)28-32(30,31)14-5-6-17(26-10-14)18-16(8-25)15-7-12(21)9-27-19(15)29(18)13-3-2-4-13;1-11(20(21,22)23)28-32(30,31)14-6-7-17(26-9-14)18-15(8-24)16-10-25-12(2)27-19(16)29(18)13-4-3-5-13/h8-13,16,26H,5-7H2,1-4H3;5-10,15-16,27H,2-4,11-12H2,1H3;8-9,11-13,15-16,27H,3-7H2,1-2H3;6-8,10-13,28H,3-5H2,1-2H3;5-7,9-11,13,28H,2-4H2,1H3;6-7,9-11,13,28H,3-5H2,1-2H3/t;;13-;12-;2*11-/m..0111/s1
• InChIKey: JZNMVBBNRREJDC-AIIBUYOZSA-N
• XLogP: 23.38
• TPSA: 631.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 35
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2747.00
LogP ≤ 5	23.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 159070052) is N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3)n(C3CCC3)c2n1.COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cc3)n(C3CCC3)c2n1.COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCC1.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2C2CCC2)nc1)C(F)(F)F.Cc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C4CC4)cn3)n(C3CCC3)c2n1.Cc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1.

What is the InChIKey of N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is JZNMVBBNRREJDC-AIIBUYOZSA-N. The full InChI is InChI=1S/C23H26N4O3S.C22H22F2N4O3S.C22H24N6O2S.C21H20F3N5O3S.C20H17F4N5O2S.C20H19F3N6O2S/c1-23(2,3)26-31(28,29)17-10-8-15(9-11-17)21-19(14-24)18-12-13-20(30-4)25-22(18)27(21)16-6-5-7-16;1-31-20-10-9-18-19(13-25)21(28(22(18)26-20)16-3-2-4-16)14-5-7-17(8-6-14)32(29,30)27-15(11-23)12-24;1-13(15-6-7-15)27-31(29,30)17-8-9-20(25-11-17)21-18(10-23)19-12-24-14(2)26-22(19)28(21)16-4-3-5-16;1-12(21(22,23)24)28-33(30,31)15-6-7-18(26-11-15)19-17(9-25)16-8-14(32-2)10-27-20(16)29(19)13-4-3-5-13;1-11(20(22,23)24)28-32(30,31)14-5-6-17(26-10-14)18-16(8-25)15-7-12(21)9-27-19(15)29(18)13-3-2-4-13;1-11(20(21,22)23)28-32(30,31)14-6-7-17(26-9-14)18-15(8-24)16-10-25-12(2)27-19(16)29(18)13-4-3-5-13/h8-13,16,26H,5-7H2,1-4H3;5-10,15-16,27H,2-4,11-12H2,1H3;8-9,11-13,15-16,27H,3-7H2,1-2H3;6-8,10-13,28H,3-5H2,1-2H3;5-7,9-11,13,28H,2-4H2,1H3;6-7,9-11,13,28H,3-5H2,1-2H3/t;;13-;12-;2*11-/m..0111/s1.

What are the key properties of N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2747.00 g/mol, XLogP of 23.38, 35 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 159070052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).