4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

C125H122F18N26O12S6 — CID 158172546

IUPAC4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
SMILESCCn1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn2)c(C#N)c2cc(C)cnc21.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2C(C)C.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2CC(C)C.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2CC1CC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2CC1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C
InChIInChI=1S/C23H23F3N4O2S.C22H21F3N4O2S.C22H23F3N4O2S.C21H21F3N4O2S.C19H18F3N5O2S.C18H16F3N5O2S/c1-14-10-19-20(11-27)21(30(22(19)28-12-14)13-16-4-3-5-16)17-6-8-18(9-7-17)33(31,32)29-15(2)23(24,25)26;1-13-9-18-19(10-26)20(29(12-15-3-4-15)21(18)27-11-13)16-5-7-17(8-6-16)32(30,31)28-14(2)22(23,24)25;1-13(2)12-29-20(19(10-26)18-9-14(3)11-27-21(18)29)16-5-7-17(8-6-16)32(30,31)28-15(4)22(23,24)25;1-12(2)28-19(18(10-25)17-9-13(3)11-26-20(17)28)15-5-7-16(8-6-15)31(29,30)27-14(4)21(22,23)24;1-4-27-17(15(8-23)14-7-11(2)9-25-18(14)27)16-6-5-13(10-24-16)30(28,29)26-12(3)19(20,21)22;1-10-6-13-14(7-22)16(26(3)17(13)24-8-10)15-5-4-12(9-23-15)29(27,28)25-11(2)18(19,20)21/h6-10,12,15-16,29H,3-5,13H2,1-2H3;5-9,11,14-15,28H,3-4,12H2,1-2H3;5-9,11,13,15,28H,12H2,1-4H3;5-9,11-12,14,27H,1-4H3;5-7,9-10,12,26H,4H2,1-3H3;4-6,8-9,11,25H,1-3H3/t15-;14-;15-;14-;12-;11-/m000000/s1
InChIKeyFXQAISYNYPWMFC-FQJGRYLTSA-N
MW2714.89 g/mol
LogP25.47
Rot. Bonds32

About 4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (PubChem CID 158172546) has the molecular formula C125H122F18N26O12S6 and a molecular weight of 2714.89 g/mol. Its IUPAC name is 4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
PubChem CID158172546
Molecular FormulaC125H122F18N26O12S6
Molecular Weight2714.89 g/mol
Exact Mass2712.78
IUPAC Name4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
SMILESCCn1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn2)c(C#N)c2cc(C)cnc21.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2C(C)C.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2CC(C)C.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2CC1CC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2CC1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C
InChIInChI=1S/C23H23F3N4O2S.C22H21F3N4O2S.C22H23F3N4O2S.C21H21F3N4O2S.C19H18F3N5O2S.C18H16F3N5O2S/c1-14-10-19-20(11-27)21(30(22(19)28-12-14)13-16-4-3-5-16)17-6-8-18(9-7-17)33(31,32)29-15(2)23(24,25)26;1-13-9-18-19(10-26)20(29(12-15-3-4-15)21(18)27-11-13)16-5-7-17(8-6-16)32(30,31)28-14(2)22(23,24)25;1-13(2)12-29-20(19(10-26)18-9-14(3)11-27-21(18)29)16-5-7-17(8-6-16)32(30,31)28-15(4)22(23,24)25;1-12(2)28-19(18(10-25)17-9-13(3)11-26-20(17)28)15-5-7-16(8-6-15)31(29,30)27-14(4)21(22,23)24;1-4-27-17(15(8-23)14-7-11(2)9-25-18(14)27)16-6-5-13(10-24-16)30(28,29)26-12(3)19(20,21)22;1-10-6-13-14(7-22)16(26(3)17(13)24-8-10)15-5-4-12(9-23-15)29(27,28)25-11(2)18(19,20)21/h6-10,12,15-16,29H,3-5,13H2,1-2H3;5-9,11,14-15,28H,3-4,12H2,1-2H3;5-9,11,13,15,28H,12H2,1-4H3;5-9,11-12,14,27H,1-4H3;5-7,9-10,12,26H,4H2,1-3H3;4-6,8-9,11,25H,1-3H3/t15-;14-;15-;14-;12-;11-/m000000/s1
InChIKeyFXQAISYNYPWMFC-FQJGRYLTSA-N
XLogP25.47
TPSA552.46 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms187
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002714.89
LogP ≤ 525.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (CID 158172546) is 4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is CCn1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn2)c(C#N)c2cc(C)cnc21.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2C(C)C.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2CC(C)C.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2CC1CC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1)n2CC1CCC1.Cc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C.
What is the InChIKey of 4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The InChIKey is FXQAISYNYPWMFC-FQJGRYLTSA-N. The full InChI is InChI=1S/C23H23F3N4O2S.C22H21F3N4O2S.C22H23F3N4O2S.C21H21F3N4O2S.C19H18F3N5O2S.C18H16F3N5O2S/c1-14-10-19-20(11-27)21(30(22(19)28-12-14)13-16-4-3-5-16)17-6-8-18(9-7-17)33(31,32)29-15(2)23(24,25)26;1-13-9-18-19(10-26)20(29(12-15-3-4-15)21(18)27-11-13)16-5-7-17(8-6-16)32(30,31)28-14(2)22(23,24)25;1-13(2)12-29-20(19(10-26)18-9-14(3)11-27-21(18)29)16-5-7-17(8-6-16)32(30,31)28-15(4)22(23,24)25;1-12(2)28-19(18(10-25)17-9-13(3)11-26-20(17)28)15-5-7-16(8-6-15)31(29,30)27-14(4)21(22,23)24;1-4-27-17(15(8-23)14-7-11(2)9-25-18(14)27)16-6-5-13(10-24-16)30(28,29)26-12(3)19(20,21)22;1-10-6-13-14(7-22)16(26(3)17(13)24-8-10)15-5-4-12(9-23-15)29(27,28)25-11(2)18(19,20)21/h6-10,12,15-16,29H,3-5,13H2,1-2H3;5-9,11,14-15,28H,3-4,12H2,1-2H3;5-9,11,13,15,28H,12H2,1-4H3;5-9,11-12,14,27H,1-4H3;5-7,9-10,12,26H,4H2,1-3H3;4-6,8-9,11,25H,1-3H3/t15-;14-;15-;14-;12-;11-/m000000/s1.
What are the key properties of 4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide has a molecular weight of 2714.89 g/mol, XLogP of 25.47, 32 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyano-1-(cyclobutylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-[3-cyano-1-(cyclopropylmethyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-ethyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-[3-cyano-5-methyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 158172546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).