1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile

C177H164F3N31O13S3 — CID 158591411

IUPAC1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile
SMILESCC(C)(O)C#Cc1cccn2ncc(-c3ccc(C#N)c(N4CCCC4)c3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(NS(=O)(=O)C4CC4)cc3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(Oc4ccccc4)cc3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)c12.Cn1cc(C#Cc2cnc3cccc(N4CCC(C#N)CC4)n23)cn1.Cn1ncc2cc(-c3cnn4cccc(C#CC(C)(C)O)c34)ccc21.N#CC1CCN(c2cccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1
InChIInChI=1S/C24H20FN3O3S.C24H20N2O2.C23H20F2N6.C23H22N4O.C23H25N3O3S.C21H21N3O3S.C20H18N4O.C19H18N6/c1-24(2,29)14-13-18-4-3-15-28-23(18)22(16-26-28)17-5-11-21(12-6-17)32(30,31)27-20-9-7-19(25)8-10-20;1-24(2,27)15-14-19-7-6-16-26-23(19)22(17-25-26)18-10-12-21(13-11-18)28-20-8-4-3-5-9-20;24-23(25)31-15-19(13-27-31)17-3-5-18(6-4-17)20-14-28-30-9-1-2-21(22(20)30)29-10-7-16(12-26)8-11-29;1-23(2,28)10-9-17-6-5-13-27-22(17)20(16-25-27)18-7-8-19(15-24)21(14-18)26-11-3-4-12-26;1-23(2,27)13-12-19-7-6-16-26-22(19)21(17-24-26)18-8-10-20(11-9-18)30(28,29)25-14-4-3-5-15-25;1-21(2,25)12-11-16-4-3-13-24-20(16)19(14-22-24)15-5-7-17(8-6-15)23-28(26,27)18-9-10-18;1-20(2,25)9-8-14-5-4-10-24-19(14)17(13-22-24)15-6-7-18-16(11-15)12-21-23(18)3;1-23-14-16(12-22-23)5-6-17-13-21-18-3-2-4-19(25(17)18)24-9-7-15(11-20)8-10-24/h3-12,15-16,27,29H,1-2H3;3-13,16-17,27H,1-2H3;1-6,9,13-16,23H,7-8,10-11H2;5-8,13-14,16,28H,3-4,11-12H2,1-2H3;6-11,16-17,27H,3-5,14-15H2,1-2H3;3-8,13-14,18,23,25H,9-10H2,1-2H3;4-7,10-13,25H,1-3H3;2-4,12-15H,7-10H2,1H3
InChIKeyHUMHLQJSNWJWGM-UHFFFAOYSA-N
MW3086.66 g/mol
LogP29.12
Rot. Bonds22

About 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile

1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile (PubChem CID 158591411) has the molecular formula C177H164F3N31O13S3 and a molecular weight of 3086.66 g/mol. Its IUPAC name is 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile
PubChem CID158591411
Molecular FormulaC177H164F3N31O13S3
Molecular Weight3086.66 g/mol
Exact Mass3084.22
IUPAC Name1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile
SMILESCC(C)(O)C#Cc1cccn2ncc(-c3ccc(C#N)c(N4CCCC4)c3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(NS(=O)(=O)C4CC4)cc3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(Oc4ccccc4)cc3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)c12.Cn1cc(C#Cc2cnc3cccc(N4CCC(C#N)CC4)n23)cn1.Cn1ncc2cc(-c3cnn4cccc(C#CC(C)(C)O)c34)ccc21.N#CC1CCN(c2cccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1
InChIInChI=1S/C24H20FN3O3S.C24H20N2O2.C23H20F2N6.C23H22N4O.C23H25N3O3S.C21H21N3O3S.C20H18N4O.C19H18N6/c1-24(2,29)14-13-18-4-3-15-28-23(18)22(16-26-28)17-5-11-21(12-6-17)32(30,31)27-20-9-7-19(25)8-10-20;1-24(2,27)15-14-19-7-6-16-26-23(19)22(17-25-26)18-10-12-21(13-11-18)28-20-8-4-3-5-9-20;24-23(25)31-15-19(13-27-31)17-3-5-18(6-4-17)20-14-28-30-9-1-2-21(22(20)30)29-10-7-16(12-26)8-11-29;1-23(2,28)10-9-17-6-5-13-27-22(17)20(16-25-27)18-7-8-19(15-24)21(14-18)26-11-3-4-12-26;1-23(2,27)13-12-19-7-6-16-26-22(19)21(17-24-26)18-8-10-20(11-9-18)30(28,29)25-14-4-3-5-15-25;1-21(2,25)12-11-16-4-3-13-24-20(16)19(14-22-24)15-5-7-17(8-6-15)23-28(26,27)18-9-10-18;1-20(2,25)9-8-14-5-4-10-24-19(14)17(13-22-24)15-6-7-18-16(11-15)12-21-23(18)3;1-23-14-16(12-22-23)5-6-17-13-21-18-3-2-4-19(25(17)18)24-9-7-15(11-20)8-10-24/h3-12,15-16,27,29H,1-2H3;3-13,16-17,27H,1-2H3;1-6,9,13-16,23H,7-8,10-11H2;5-8,13-14,16,28H,3-4,11-12H2,1-2H3;6-11,16-17,27H,3-5,14-15H2,1-2H3;3-8,13-14,18,23,25H,9-10H2,1-2H3;4-7,10-13,25H,1-3H3;2-4,12-15H,7-10H2,1H3
InChIKeyHUMHLQJSNWJWGM-UHFFFAOYSA-N
XLogP29.12
TPSA533.28 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds22
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003086.66
LogP ≤ 529.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile with MolForge

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Related Compounds

6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclohexyl-5-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclohexyl-5-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclohexyl-5-methylindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-[3-cyano-1-(cyclopropylmethyl)-6-methylindol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 159157417
1-[3-[1-(Difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyridin-4-yl]-4-methylpiperidine-4-carbonitrile;1-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;4-methyl-1-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylate;bis(4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile);4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylic acid;2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxamide;1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-ol
CID 158435767
1-[6-(2,4-Difluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine;6-(1-methylpyrazol-4-yl)-1-[6-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine
CID 160634716
N-[6-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-3-pyridinyl]propane-1-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;N-[5-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-pyridinyl]-2-methylpropane-2-sulfonamide;N-[6-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-pyridinyl]propane-1-sulfonamide;N-[6-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-3-pyridinyl]cyclopropanesulfonamide;N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]-2-pyridinyl]-2-methylpropane-2-sulfonamide;molecular hydrogen
CID 161363427
2-Fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 163774145

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile (CID 158591411) is 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile is CC(C)(O)C#Cc1cccn2ncc(-c3ccc(C#N)c(N4CCCC4)c3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(NS(=O)(=O)C4CC4)cc3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(Oc4ccccc4)cc3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c12.CC(C)(O)C#Cc1cccn2ncc(-c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)c12.Cn1cc(C#Cc2cnc3cccc(N4CCC(C#N)CC4)n23)cn1.Cn1ncc2cc(-c3cnn4cccc(C#CC(C)(C)O)c34)ccc21.N#CC1CCN(c2cccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1.
What is the InChIKey of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile?
The InChIKey is HUMHLQJSNWJWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S.C24H20N2O2.C23H20F2N6.C23H22N4O.C23H25N3O3S.C21H21N3O3S.C20H18N4O.C19H18N6/c1-24(2,29)14-13-18-4-3-15-28-23(18)22(16-26-28)17-5-11-21(12-6-17)32(30,31)27-20-9-7-19(25)8-10-20;1-24(2,27)15-14-19-7-6-16-26-23(19)22(17-25-26)18-10-12-21(13-11-18)28-20-8-4-3-5-9-20;24-23(25)31-15-19(13-27-31)17-3-5-18(6-4-17)20-14-28-30-9-1-2-21(22(20)30)29-10-7-16(12-26)8-11-29;1-23(2,28)10-9-17-6-5-13-27-22(17)20(16-25-27)18-7-8-19(15-24)21(14-18)26-11-3-4-12-26;1-23(2,27)13-12-19-7-6-16-26-22(19)21(17-24-26)18-8-10-20(11-9-18)30(28,29)25-14-4-3-5-15-25;1-21(2,25)12-11-16-4-3-13-24-20(16)19(14-22-24)15-5-7-17(8-6-15)23-28(26,27)18-9-10-18;1-20(2,25)9-8-14-5-4-10-24-19(14)17(13-22-24)15-6-7-18-16(11-15)12-21-23(18)3;1-23-14-16(12-22-23)5-6-17-13-21-18-3-2-4-19(25(17)18)24-9-7-15(11-20)8-10-24/h3-12,15-16,27,29H,1-2H3;3-13,16-17,27H,1-2H3;1-6,9,13-16,23H,7-8,10-11H2;5-8,13-14,16,28H,3-4,11-12H2,1-2H3;6-11,16-17,27H,3-5,14-15H2,1-2H3;3-8,13-14,18,23,25H,9-10H2,1-2H3;4-7,10-13,25H,1-3H3;2-4,12-15H,7-10H2,1H3.
What are the key properties of 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile?
1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile has a molecular weight of 3086.66 g/mol, XLogP of 29.12, 22 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 158591411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).