4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

C54H52N20O10 — CID 158974416

IUPAC4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(N)nc2c1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)CO)n1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2ncccc2C#N)c1C(=O)CO.Cn1ncc(-c2ncccc2C#N)c1C(=O)O
InChIInChI=1S/C12H14N4O2.C12H10N4O2.C11H12N4O2.C11H8N4O2.C8H8N4O2/c1-7-4-13-8(2)11(15-7)9-5-14-16(3)12(9)10(18)6-17;1-16-12(10(18)7-17)9(6-15-16)11-8(5-13)3-2-4-14-11;1-6-4-12-7(2)9(14-6)8-5-13-15(3)10(8)11(16)17;1-15-10(11(16)17)8(6-14-15)9-7(5-12)3-2-4-13-9;1-14-7(13)5-2-3-12-6(4-5)10-8(9)11-12/h4-5,17H,6H2,1-3H3;2-4,6,17H,7H2,1H3;4-5H,1-3H3,(H,16,17);2-4,6H,1H3,(H,16,17);2-4H,1H3,(H2,9,11)
InChIKeyJOFCQADAHYHELT-UHFFFAOYSA-N
MW1141.14 g/mol
LogP3.54
Rot. Bonds11

About 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 158974416) has the molecular formula C54H52N20O10 and a molecular weight of 1141.14 g/mol. Its IUPAC name is 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Name4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
PubChem CID158974416
Molecular FormulaC54H52N20O10
Molecular Weight1141.14 g/mol
Exact Mass1140.42
IUPAC Name4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(N)nc2c1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)CO)n1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2ncccc2C#N)c1C(=O)CO.Cn1ncc(-c2ncccc2C#N)c1C(=O)O
InChIInChI=1S/C12H14N4O2.C12H10N4O2.C11H12N4O2.C11H8N4O2.C8H8N4O2/c1-7-4-13-8(2)11(15-7)9-5-14-16(3)12(9)10(18)6-17;1-16-12(10(18)7-17)9(6-15-16)11-8(5-13)3-2-4-14-11;1-6-4-12-7(2)9(14-6)8-5-13-15(3)10(8)11(16)17;1-15-10(11(16)17)8(6-14-15)9-7(5-12)3-2-4-13-9;1-14-7(13)5-2-3-12-6(4-5)10-8(9)11-12/h4-5,17H,6H2,1-3H3;2-4,6,17H,7H2,1H3;4-5H,1-3H3,(H,16,17);2-4,6H,1H3,(H,16,17);2-4H,1H3,(H2,9,11)
InChIKeyJOFCQADAHYHELT-UHFFFAOYSA-N
XLogP3.54
TPSA427.91 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.14
LogP ≤ 53.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate with MolForge

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Related Compounds

3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol
CID 158219571
Tert-butyl 2-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetate;bis(2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine);2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylic acid;2-hydroxy-1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]ethanone;methyl 2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 160037266
Methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methyl-3-pyridin-2-ylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methyl-3-pyridin-2-ylpyrazole-4-carboxylate
CID 135979385
Methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methyl-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methyl-3-phenylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methyl-3-pyridin-2-ylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methyl-3-pyridin-2-ylpyrazole-4-carboxylate
CID 137024797
4-[2-(furan-2-yl)ethyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-methyl-4-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidine;2-methyl-4-[2-(5-methylfuran-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine;6-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-methyl-N-(pyrazin-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-methyl-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]furan-2-carbonitrile;[5-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]furan-2-yl]methanol;5-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]furan-2-carbonitrile;[5-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]furan-2-yl]methanol
CID 157064592
4-(5,6-Dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid
CID 157178344
Tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;methyl 1,2-diaminopyridin-1-ium-4-carboxylate;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2,4,6-trimethylbenzenesulfonate;hydrochloride
CID 157268505
2-Hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid
CID 157269337
4-(5-Cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid
CID 157400068
1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;6-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile;methyl 5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-2-carboxylate
CID 157492581
4-(4,6-Dimethylpyrimidin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methylpyridazin-3-yl)pyrazole-5-carboxylic acid
CID 157676207
(8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[(4S)-4-methyl-6-(methylcarbamoyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;methyl (8S)-8-methyl-5-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylate;(8S)-8-methyl-5-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid
CID 157684947

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (CID 158974416) is 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2nc(N)nc2c1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)CO)n1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2ncccc2C#N)c1C(=O)CO.Cn1ncc(-c2ncccc2C#N)c1C(=O)O.
What is the InChIKey of 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The InChIKey is JOFCQADAHYHELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.C12H10N4O2.C11H12N4O2.C11H8N4O2.C8H8N4O2/c1-7-4-13-8(2)11(15-7)9-5-14-16(3)12(9)10(18)6-17;1-16-12(10(18)7-17)9(6-15-16)11-8(5-13)3-2-4-14-11;1-6-4-12-7(2)9(14-6)8-5-13-15(3)10(8)11(16)17;1-15-10(11(16)17)8(6-14-15)9-7(5-12)3-2-4-13-9;1-14-7(13)5-2-3-12-6(4-5)10-8(9)11-12/h4-5,17H,6H2,1-3H3;2-4,6,17H,7H2,1H3;4-5H,1-3H3,(H,16,17);2-4,6H,1H3,(H,16,17);2-4H,1H3,(H2,9,11).
What are the key properties of 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 1141.14 g/mol, XLogP of 3.54, 11 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 158974416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).