6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C139H129F18N33O13S8 — CID 158479306

IUPAC6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCOc1cc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2nc1C.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(-c4cccs4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(N4CCCC4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(-c4cccs4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(N4CCCC4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C#N)nc3n2C2CCC2)nc1)C(F)(F)F
InChIInChI=1S/2C24H25F3N6O2S.2C24H20F3N5O2S2.C22H22F3N5O3S.C21H17F3N6O2S/c2*1-15(24(25,26)27)31-36(34,35)18-7-8-21(29-14-18)22-20(12-28)19-11-17(32-9-2-3-10-32)13-30-23(19)33(22)16-5-4-6-16;2*1-14(24(25,26)27)31-36(33,34)17-7-8-20(29-13-17)22-19(11-28)18-10-15(21-6-3-9-35-21)12-30-23(18)32(22)16-4-2-5-16;1-12-19(33-3)9-16-17(10-26)20(30(21(16)28-12)14-5-4-6-14)18-8-7-15(11-27-18)34(31,32)29-13(2)22(23,24)25;1-12(21(22,23)24)29-33(31,32)15-6-8-18(27-11-15)19-17(10-26)16-7-5-13(9-25)28-20(16)30(19)14-3-2-4-14/h2*7-8,11,13-16,31H,2-6,9-10H2,1H3;2*3,6-10,12-14,16,31H,2,4-5H2,1H3;7-9,11,13-14,29H,4-6H2,1-3H3;5-8,11-12,14,29H,2-4H2,1H3/t2*15-;2*14-;13-;12-/m101000/s1
InChIKeyHHHZVTNVNBOOJX-NIUXRCPFSA-N
MW3068.28 g/mol
LogP28.39
Rot. Bonds35

About 6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 158479306) has the molecular formula C139H129F18N33O13S8 and a molecular weight of 3068.28 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID158479306
Molecular FormulaC139H129F18N33O13S8
Molecular Weight3068.28 g/mol
Exact Mass3065.79
IUPAC Name6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCOc1cc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2nc1C.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(-c4cccs4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(N4CCCC4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(-c4cccs4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(N4CCCC4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C#N)nc3n2C2CCC2)nc1)C(F)(F)F
InChIInChI=1S/2C24H25F3N6O2S.2C24H20F3N5O2S2.C22H22F3N5O3S.C21H17F3N6O2S/c2*1-15(24(25,26)27)31-36(34,35)18-7-8-21(29-14-18)22-20(12-28)19-11-17(32-9-2-3-10-32)13-30-23(19)33(22)16-5-4-6-16;2*1-14(24(25,26)27)31-36(33,34)17-7-8-20(29-13-17)22-19(11-28)18-10-15(21-6-3-9-35-21)12-30-23(18)32(22)16-4-2-5-16;1-12-19(33-3)9-16-17(10-26)20(30(21(16)28-12)14-5-4-6-14)18-8-7-15(11-27-18)34(31,32)29-13(2)22(23,24)25;1-12(21(22,23)24)29-33(31,32)15-6-8-18(27-11-15)19-17(10-26)16-7-5-13(9-25)28-20(16)30(19)14-3-2-4-14/h2*7-8,11,13-16,31H,2-6,9-10H2,1H3;2*3,6-10,12-14,16,31H,2,4-5H2,1H3;7-9,11,13-14,29H,4-6H2,1-3H3;5-8,11-12,14,29H,2-4H2,1H3/t2*15-;2*14-;13-;12-/m101000/s1
InChIKeyHHHZVTNVNBOOJX-NIUXRCPFSA-N
XLogP28.39
TPSA643.52 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds35
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003068.28
LogP ≤ 528.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Analyze 6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 158479306) is 6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is COc1cc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2nc1C.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(-c4cccs4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(N4CCCC4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(-c4cccs4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(N4CCCC4)cnc3n2C2CCC2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C#N)nc3n2C2CCC2)nc1)C(F)(F)F.
What is the InChIKey of 6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is HHHZVTNVNBOOJX-NIUXRCPFSA-N. The full InChI is InChI=1S/2C24H25F3N6O2S.2C24H20F3N5O2S2.C22H22F3N5O3S.C21H17F3N6O2S/c2*1-15(24(25,26)27)31-36(34,35)18-7-8-21(29-14-18)22-20(12-28)19-11-17(32-9-2-3-10-32)13-30-23(19)33(22)16-5-4-6-16;2*1-14(24(25,26)27)31-36(33,34)17-7-8-20(29-13-17)22-19(11-28)18-10-15(21-6-3-9-35-21)12-30-23(18)32(22)16-4-2-5-16;1-12-19(33-3)9-16-17(10-26)20(30(21(16)28-12)14-5-4-6-14)18-8-7-15(11-27-18)34(31,32)29-13(2)22(23,24)25;1-12(21(22,23)24)29-33(31,32)15-6-8-18(27-11-15)19-17(10-26)16-7-5-13(9-25)28-20(16)30(19)14-3-2-4-14/h2*7-8,11,13-16,31H,2-6,9-10H2,1H3;2*3,6-10,12-14,16,31H,2,4-5H2,1H3;7-9,11,13-14,29H,4-6H2,1-3H3;5-8,11-12,14,29H,2-4H2,1H3/t2*15-;2*14-;13-;12-/m101000/s1.
What are the key properties of 6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 3068.28 g/mol, XLogP of 28.39, 35 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-1-cyclobutyl-5-methoxy-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-pyrrolidin-1-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3,6-dicyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 158479306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).