2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C121H118F14N34O17S6 — CID 160782516

IUPAC2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(F)cnc3n2C2CCC2)nc1.COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCC3)c2n1.COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1.COc1ccc2c(C#N)c(-c3ncc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCC3)c2n1.COc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1.COc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1
InChIInChI=1S/C21H20F3N5O3S.C21H21F2N5O3S.2C20H19F3N6O3S.C20H20F2N6O3S.C19H19FN6O2S/c1-12(21(22,23)24)28-33(30,31)14-6-8-17(26-11-14)19-16(10-25)15-7-9-18(32-2)27-20(15)29(19)13-4-3-5-13;1-31-19-8-6-16-17(11-24)20(28(21(16)26-19)14-3-2-4-14)18-7-5-15(12-25-18)32(29,30)27-13(9-22)10-23;2*1-11(20(21,22)23)28-33(30,31)13-6-7-16(25-9-13)17-14(8-24)15-10-26-19(32-2)27-18(15)29(17)12-4-3-5-12;1-31-17-6-5-15-16(9-23)18(28(20(15)26-17)13-3-2-4-13)19-24-10-14(11-25-19)32(29,30)27-12(7-21)8-22;1-11(2)25-29(27,28)14-9-22-18(23-10-14)17-16(7-21)15-6-12(20)8-24-19(15)26(17)13-4-3-5-13/h6-9,11-13,28H,3-5H2,1-2H3;5-8,12-14,27H,2-4,9-10H2,1H3;2*6-7,9-12,28H,3-5H2,1-2H3;5-6,10-13,27H,2-4,7-8H2,1H3;6,8-11,13,25H,3-5H2,1-2H3/t12-;;2*11-;;/m0.10../s1
InChIKeySATMFDGHJUXGBR-UCZQVYEFSA-N
MW2778.87 g/mol
LogP19.48
Rot. Bonds39

About 2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 160782516) has the molecular formula C121H118F14N34O17S6 and a molecular weight of 2778.87 g/mol. Its IUPAC name is 2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID160782516
Molecular FormulaC121H118F14N34O17S6
Molecular Weight2778.87 g/mol
Exact Mass2776.75
IUPAC Name2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(F)cnc3n2C2CCC2)nc1.COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCC3)c2n1.COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1.COc1ccc2c(C#N)c(-c3ncc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCC3)c2n1.COc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1.COc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1
InChIInChI=1S/C21H20F3N5O3S.C21H21F2N5O3S.2C20H19F3N6O3S.C20H20F2N6O3S.C19H19FN6O2S/c1-12(21(22,23)24)28-33(30,31)14-6-8-17(26-11-14)19-16(10-25)15-7-9-18(32-2)27-20(15)29(19)13-4-3-5-13;1-31-19-8-6-16-17(11-24)20(28(21(16)26-19)14-3-2-4-14)18-7-5-15(12-25-18)32(29,30)27-13(9-22)10-23;2*1-11(20(21,22)23)28-33(30,31)13-6-7-16(25-9-13)17-14(8-24)15-10-26-19(32-2)27-18(15)29(17)12-4-3-5-12;1-31-17-6-5-15-16(9-23)18(28(20(15)26-17)13-3-2-4-13)19-24-10-14(11-25-19)32(29,30)27-12(7-21)8-22;1-11(2)25-29(27,28)14-9-22-18(23-10-14)17-16(7-21)15-6-12(20)8-24-19(15)26(17)13-4-3-5-13/h6-9,11-13,28H,3-5H2,1-2H3;5-8,12-14,27H,2-4,9-10H2,1H3;2*6-7,9-12,28H,3-5H2,1-2H3;5-6,10-13,27H,2-4,7-8H2,1H3;6,8-11,13,25H,3-5H2,1-2H3/t12-;;2*11-;;/m0.10../s1
InChIKeySATMFDGHJUXGBR-UCZQVYEFSA-N
XLogP19.48
TPSA701.73 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds39
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002778.87
LogP ≤ 519.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Analyze 2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

6-(3-cyano-1-cyclobutyl-6-methoxy-pyrrolo[2,3-b]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49783095
6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 49780042
2-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 49780243
6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
CID 49783304
2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 49783305
6-[3-cyano-1-(cyclobutadienyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66734666
6-[3-cyano-1-(cyclobutadienyl)-6-methoxypyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 66735552
6-[3-cyano-1-(cyclobutadienyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77181983
6-[3-cyano-1-(cyclobutadienyl)-6-methoxypyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 77182177
4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-hydroxy-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-1-ium-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclopentyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157194202
6-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[3,2-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157323093
6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)-5-fluoroindol-2-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-6-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 157431135

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 160782516) is 2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(F)cnc3n2C2CCC2)nc1.COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCC3)c2n1.COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1.COc1ccc2c(C#N)c(-c3ncc(S(=O)(=O)NC(CF)CF)cn3)n(C3CCC3)c2n1.COc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1.COc1ncc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn3)n(C3CCC3)c2n1.
What is the InChIKey of 2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is SATMFDGHJUXGBR-UCZQVYEFSA-N. The full InChI is InChI=1S/C21H20F3N5O3S.C21H21F2N5O3S.2C20H19F3N6O3S.C20H20F2N6O3S.C19H19FN6O2S/c1-12(21(22,23)24)28-33(30,31)14-6-8-17(26-11-14)19-16(10-25)15-7-9-18(32-2)27-20(15)29(19)13-4-3-5-13;1-31-19-8-6-16-17(11-24)20(28(21(16)26-19)14-3-2-4-14)18-7-5-15(12-25-18)32(29,30)27-13(9-22)10-23;2*1-11(20(21,22)23)28-33(30,31)13-6-7-16(25-9-13)17-14(8-24)15-10-26-19(32-2)27-18(15)29(17)12-4-3-5-12;1-31-17-6-5-15-16(9-23)18(28(20(15)26-17)13-3-2-4-13)19-24-10-14(11-25-19)32(29,30)27-12(7-21)8-22;1-11(2)25-29(27,28)14-9-22-18(23-10-14)17-16(7-21)15-6-12(20)8-24-19(15)26(17)13-4-3-5-13/h6-9,11-13,28H,3-5H2,1-2H3;5-8,12-14,27H,2-4,9-10H2,1H3;2*6-7,9-12,28H,3-5H2,1-2H3;5-6,10-13,27H,2-4,7-8H2,1H3;6,8-11,13,25H,3-5H2,1-2H3/t12-;;2*11-;;/m0.10../s1.
What are the key properties of 2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2778.87 g/mol, XLogP of 19.48, 39 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 160782516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).