4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C124H106F18N32O12S6 — CID 161141680

IUPAC4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCCCn1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc2)c(C#N)c2cc(C)cnc21.CCn1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc2)c(C#N)c2cc(C)cnc21.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccncc3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccncn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccnnc3)c2c1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2C
InChIInChI=1S/C22H17F3N6O2S.2C21H16F3N7O2S.C21H21F3N4O2S.C20H19F3N4O2S.C19H17F3N4O2S/c1-13-9-19-20(29-11-13)17(10-26)21(31(19)15-5-7-27-8-6-15)18-4-3-16(12-28-18)34(32,33)30-14(2)22(23,24)25;1-12-7-18-19(27-9-12)16(8-25)20(31(18)14-5-6-28-29-10-14)17-4-3-15(11-26-17)34(32,33)30-13(2)21(22,23)24;1-12-7-17-19(28-9-12)15(8-25)20(31(17)18-5-6-26-11-29-18)16-4-3-14(10-27-16)34(32,33)30-13(2)21(22,23)24;1-4-9-28-19(18(11-25)17-10-13(2)12-26-20(17)28)15-5-7-16(8-6-15)31(29,30)27-14(3)21(22,23)24;1-4-27-18(17(10-24)16-9-12(2)11-25-19(16)27)14-5-7-15(8-6-14)30(28,29)26-13(3)20(21,22)23;1-11-8-15-16(9-23)17(26(3)18(15)24-10-11)13-4-6-14(7-5-13)29(27,28)25-12(2)19(20,21)22/h3-9,11-12,14,30H,1-2H3;2*3-7,9-11,13,30H,1-2H3;5-8,10,12,14,27H,4,9H2,1-3H3;5-9,11,13,26H,4H2,1-3H3;4-8,10,12,25H,1-3H3/t14-;2*13-;14-;13-;12-/m000000/s1
InChIKeyUNNIMRQWFMISIB-DCHOTPEASA-N
MW2770.79 g/mol
LogP22.77
Rot. Bonds30

About 4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 161141680) has the molecular formula C124H106F18N32O12S6 and a molecular weight of 2770.79 g/mol. Its IUPAC name is 4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID161141680
Molecular FormulaC124H106F18N32O12S6
Molecular Weight2770.79 g/mol
Exact Mass2768.67
IUPAC Name4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCCCn1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc2)c(C#N)c2cc(C)cnc21.CCn1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc2)c(C#N)c2cc(C)cnc21.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccncc3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccncn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccnnc3)c2c1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2C
InChIInChI=1S/C22H17F3N6O2S.2C21H16F3N7O2S.C21H21F3N4O2S.C20H19F3N4O2S.C19H17F3N4O2S/c1-13-9-19-20(29-11-13)17(10-26)21(31(19)15-5-7-27-8-6-15)18-4-3-16(12-28-18)34(32,33)30-14(2)22(23,24)25;1-12-7-18-19(27-9-12)16(8-25)20(31(18)14-5-6-28-29-10-14)17-4-3-15(11-26-17)34(32,33)30-13(2)21(22,23)24;1-12-7-17-19(28-9-12)15(8-25)20(31(17)18-5-6-26-11-29-18)16-4-3-14(10-27-16)34(32,33)30-13(2)21(22,23)24;1-4-9-28-19(18(11-25)17-10-13(2)12-26-20(17)28)15-5-7-16(8-6-15)31(29,30)27-14(3)21(22,23)24;1-4-27-18(17(10-24)16-9-12(2)11-25-19(16)27)14-5-7-15(8-6-14)30(28,29)26-13(3)20(21,22)23;1-11-8-15-16(9-23)17(26(3)18(15)24-10-11)13-4-6-14(7-5-13)29(27,28)25-12(2)19(20,21)22/h3-9,11-12,14,30H,1-2H3;2*3-7,9-11,13,30H,1-2H3;5-8,10,12,14,27H,4,9H2,1-3H3;5-9,11,13,26H,4H2,1-3H3;4-8,10,12,25H,1-3H3/t14-;2*13-;14-;13-;12-/m000000/s1
InChIKeyUNNIMRQWFMISIB-DCHOTPEASA-N
XLogP22.77
TPSA629.80 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002770.79
LogP ≤ 522.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 161141680) is 4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CCCn1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc2)c(C#N)c2cc(C)cnc21.CCn1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc2)c(C#N)c2cc(C)cnc21.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccncc3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccncn3)c2c1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(-c3ccnnc3)c2c1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2C.
What is the InChIKey of 4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is UNNIMRQWFMISIB-DCHOTPEASA-N. The full InChI is InChI=1S/C22H17F3N6O2S.2C21H16F3N7O2S.C21H21F3N4O2S.C20H19F3N4O2S.C19H17F3N4O2S/c1-13-9-19-20(29-11-13)17(10-26)21(31(19)15-5-7-27-8-6-15)18-4-3-16(12-28-18)34(32,33)30-14(2)22(23,24)25;1-12-7-18-19(27-9-12)16(8-25)20(31(18)14-5-6-28-29-10-14)17-4-3-15(11-26-17)34(32,33)30-13(2)21(22,23)24;1-12-7-17-19(28-9-12)15(8-25)20(31(17)18-5-6-26-11-29-18)16-4-3-14(10-27-16)34(32,33)30-13(2)21(22,23)24;1-4-9-28-19(18(11-25)17-10-13(2)12-26-20(17)28)15-5-7-16(8-6-15)31(29,30)27-14(3)21(22,23)24;1-4-27-18(17(10-24)16-9-12(2)11-25-19(16)27)14-5-7-15(8-6-14)30(28,29)26-13(3)20(21,22)23;1-11-8-15-16(9-23)17(26(3)18(15)24-10-11)13-4-6-14(7-5-13)29(27,28)25-12(2)19(20,21)22/h3-9,11-12,14,30H,1-2H3;2*3-7,9-11,13,30H,1-2H3;5-8,10,12,14,27H,4,9H2,1-3H3;5-9,11,13,26H,4H2,1-3H3;4-8,10,12,25H,1-3H3/t14-;2*13-;14-;13-;12-/m000000/s1.
What are the key properties of 4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2770.79 g/mol, XLogP of 22.77, 30 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-6-methyl-1-pyridazin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyridin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-4-ylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 161141680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).