6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C130H87F34N33O12S6 — CID 158969600

IUPAC6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ccccc2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ccccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2cnccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2-c2ccccc2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2cc3cc(C(F)(F)F)cnc3n2-c2ccccc2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2cc3cc(C(F)(F)F)cnc3n2-c2cnccn2)nc1)C(F)(F)F
InChIInChI=1S/C23H15F6N5O2S.C22H14F6N6O2S.C22H16F6N4O2S.C22H15F4N5O2S.C21H13F6N7O2S.C20H14F6N6O2S/c1-13(22(24,25)26)33-37(35,36)16-7-8-19(31-12-16)20-18(10-30)17-9-14(23(27,28)29)11-32-21(17)34(20)15-5-3-2-4-6-15;1-12(21(23,24)25)33-37(35,36)14-5-6-17(31-11-14)19-16(9-29)15-8-13(22(26,27)28)10-32-20(15)34(19)18-4-2-3-7-30-18;1-13(21(23,24)25)31-35(33,34)17-7-8-18(29-12-17)19-10-14-9-15(22(26,27)28)11-30-20(14)32(19)16-5-3-2-4-6-16;1-13(22(24,25)26)30-34(32,33)16-7-8-19(28-12-16)20-18(10-27)17-9-14(23)11-29-21(17)31(20)15-5-3-2-4-6-15;1-11(20(22,23)24)33-37(35,36)13-2-3-16(31-9-13)18-15(7-28)14-6-12(21(25,26)27)8-32-19(14)34(18)17-10-29-4-5-30-17;1-11(19(21,22)23)31-35(33,34)14-2-3-15(29-9-14)16-7-12-6-13(20(24,25)26)8-30-18(12)32(16)17-10-27-4-5-28-17/h2-9,11-13,33H,1H3;2-8,10-12,33H,1H3;2-13,31H,1H3;2-9,11-13,30H,1H3;2-6,8-11,33H,1H3;2-11,31H,1H3/t13-;12-;2*13-;2*11-/m000000/s1
InChIKeyJNQDPPOKFGZEPS-RKRXHBGKSA-N
MW3141.68 g/mol
LogP27.59
Rot. Bonds30

About 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 158969600) has the molecular formula C130H87F34N33O12S6 and a molecular weight of 3141.68 g/mol. Its IUPAC name is 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID158969600
Molecular FormulaC130H87F34N33O12S6
Molecular Weight3141.68 g/mol
Exact Mass3139.50
IUPAC Name6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ccccc2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ccccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2cnccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2-c2ccccc2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2cc3cc(C(F)(F)F)cnc3n2-c2ccccc2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2cc3cc(C(F)(F)F)cnc3n2-c2cnccn2)nc1)C(F)(F)F
InChIInChI=1S/C23H15F6N5O2S.C22H14F6N6O2S.C22H16F6N4O2S.C22H15F4N5O2S.C21H13F6N7O2S.C20H14F6N6O2S/c1-13(22(24,25)26)33-37(35,36)16-7-8-19(31-12-16)20-18(10-30)17-9-14(23(27,28)29)11-32-21(17)34(20)15-5-3-2-4-6-15;1-12(21(23,24)25)33-37(35,36)14-5-6-17(31-11-14)19-16(9-29)15-8-13(22(26,27)28)10-32-20(15)34(19)18-4-2-3-7-30-18;1-13(21(23,24)25)31-35(33,34)17-7-8-18(29-12-17)19-10-14-9-15(22(26,27)28)11-30-20(14)32(19)16-5-3-2-4-6-16;1-13(22(24,25)26)30-34(32,33)16-7-8-19(28-12-16)20-18(10-27)17-9-14(23)11-29-21(17)31(20)15-5-3-2-4-6-15;1-11(20(22,23)24)33-37(35,36)13-2-3-16(31-9-13)18-15(7-28)14-6-12(21(25,26)27)8-32-19(14)34(18)17-10-29-4-5-30-17;1-11(19(21,22)23)31-35(33,34)14-2-3-15(29-9-14)16-7-12-6-13(20(24,25)26)8-30-18(12)32(16)17-10-27-4-5-28-17/h2-9,11-13,33H,1H3;2-8,10-12,33H,1H3;2-13,31H,1H3;2-9,11-13,30H,1H3;2-6,8-11,33H,1H3;2-11,31H,1H3/t13-;12-;2*13-;2*11-/m000000/s1
InChIKeyJNQDPPOKFGZEPS-RKRXHBGKSA-N
XLogP27.59
TPSA620.89 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003141.68
LogP ≤ 527.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

6-(3-cyano-5-fluoro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 49785221
6-(3-cyano-5-fluoro-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 49785222
6-[3-cyano-1-(5-fluoropyridin-2-yl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734488
6-[3-cyano-1-(3,4-difluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734491
6-[3-cyano-5-fluoro-1-(4-fluoropyridin-2-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734543
6-[3-cyano-1-(2-fluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734595
6-[3-cyano-1-(3-fluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734836
6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734886
6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734918
6-[3-cyano-1-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734922
6-[3-cyano-1-(3,5-difluorophenyl)-5-methylpyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734965
6-[3-cyano-5-ethyl-1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66735131

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 158969600) is 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[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-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ccccc2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2ccccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C(F)(F)F)cnc3n2-c2cnccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2-c2ccccc2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2cc3cc(C(F)(F)F)cnc3n2-c2ccccc2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2cc3cc(C(F)(F)F)cnc3n2-c2cnccn2)nc1)C(F)(F)F.
What is the InChIKey of 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is JNQDPPOKFGZEPS-RKRXHBGKSA-N. The full InChI is InChI=1S/C23H15F6N5O2S.C22H14F6N6O2S.C22H16F6N4O2S.C22H15F4N5O2S.C21H13F6N7O2S.C20H14F6N6O2S/c1-13(22(24,25)26)33-37(35,36)16-7-8-19(31-12-16)20-18(10-30)17-9-14(23(27,28)29)11-32-21(17)34(20)15-5-3-2-4-6-15;1-12(21(23,24)25)33-37(35,36)14-5-6-17(31-11-14)19-16(9-29)15-8-13(22(26,27)28)10-32-20(15)34(19)18-4-2-3-7-30-18;1-13(21(23,24)25)31-35(33,34)17-7-8-18(29-12-17)19-10-14-9-15(22(26,27)28)11-30-20(14)32(19)16-5-3-2-4-6-16;1-13(22(24,25)26)30-34(32,33)16-7-8-19(28-12-16)20-18(10-27)17-9-14(23)11-29-21(17)31(20)15-5-3-2-4-6-15;1-11(20(22,23)24)33-37(35,36)13-2-3-16(31-9-13)18-15(7-28)14-6-12(21(25,26)27)8-32-19(14)34(18)17-10-29-4-5-30-17;1-11(19(21,22)23)31-35(33,34)14-2-3-15(29-9-14)16-7-12-6-13(20(24,25)26)8-30-18(12)32(16)17-10-27-4-5-28-17/h2-9,11-13,33H,1H3;2-8,10-12,33H,1H3;2-13,31H,1H3;2-9,11-13,30H,1H3;2-6,8-11,33H,1H3;2-11,31H,1H3/t13-;12-;2*13-;2*11-/m000000/s1.
What are the key properties of 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 3141.68 g/mol, XLogP of 27.59, 30 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-pyridin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-phenyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[1-pyrazin-2-yl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 158969600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).