6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid

C52H52N14O11 — CID 158626742

IUPAC6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid
SMILESCC1(O)CCC(c2ccc(C(=O)O)cn2)CC1.Cc1cc(C(=O)O)cnc1-n1cccn1.Cc1cc(C)n(-c2ccc(C(=O)O)cn2)n1.Cc1ccn(-c2ccc(C(=O)O)cn2)n1.O=C(O)c1ccc(-n2ccnn2)nc1
InChIInChI=1S/C13H17NO3.C11H11N3O2.2C10H9N3O2.C8H6N4O2/c1-13(17)6-4-9(5-7-13)11-3-2-10(8-14-11)12(15)16;1-7-5-8(2)14(13-7)10-4-3-9(6-12-10)11(15)16;1-7-4-5-13(12-7)9-3-2-8(6-11-9)10(14)15;1-7-5-8(10(14)15)6-11-9(7)13-4-2-3-12-13;13-8(14)6-1-2-7(9-5-6)12-4-3-10-11-12/h2-3,8-9,17H,4-7H2,1H3,(H,15,16);3-6H,1-2H3,(H,15,16);2*2-6H,1H3,(H,14,15);1-5H,(H,13,14)
InChIKeyHYRLYLYAYZRLLW-UHFFFAOYSA-N
MW1049.07 g/mol
LogP6.68
Rot. Bonds10

About 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid

6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 158626742) has the molecular formula C52H52N14O11 and a molecular weight of 1049.07 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid
PubChem CID158626742
Molecular FormulaC52H52N14O11
Molecular Weight1049.07 g/mol
Exact Mass1048.39
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid
SMILESCC1(O)CCC(c2ccc(C(=O)O)cn2)CC1.Cc1cc(C(=O)O)cnc1-n1cccn1.Cc1cc(C)n(-c2ccc(C(=O)O)cn2)n1.Cc1ccn(-c2ccc(C(=O)O)cn2)n1.O=C(O)c1ccc(-n2ccnn2)nc1
InChIInChI=1S/C13H17NO3.C11H11N3O2.2C10H9N3O2.C8H6N4O2/c1-13(17)6-4-9(5-7-13)11-3-2-10(8-14-11)12(15)16;1-7-5-8(2)14(13-7)10-4-3-9(6-12-10)11(15)16;1-7-4-5-13(12-7)9-3-2-8(6-11-9)10(14)15;1-7-5-8(10(14)15)6-11-9(7)13-4-2-3-12-13;13-8(14)6-1-2-7(9-5-6)12-4-3-10-11-12/h2-3,8-9,17H,4-7H2,1H3,(H,15,16);3-6H,1-2H3,(H,15,16);2*2-6H,1H3,(H,14,15);1-5H,(H,13,14)
InChIKeyHYRLYLYAYZRLLW-UHFFFAOYSA-N
XLogP6.68
TPSA355.35 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001049.07
LogP ≤ 56.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

deuterio(fluoro)methane;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxylic acid;1-[5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrol-3-yl]ethanone
CID 161537445
3-[[1-[2-(4,4-Difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]amino]pyridine-4-carboxylic acid;1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone;3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]methyl]pyridine-4-carboxylic acid
CID 161922341
6-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylic acid
CID 69589538
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
5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 157089668
3-Phenyl-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid
CID 157631660
3-[8-[[6-(3,5-Dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoic acid;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate
CID 157857045
CID 157903590
CID 157903590
2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;1-[2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]ethanone
CID 158045586
Sodium;3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate;3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoic acid
CID 158453817
3-[8-[[6-(2,5-Dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoic acid;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate
CID 158736005
3,6-dimethyl-2-(4H-triazol-5-yl)pyridine;6-methyl-5-propan-2-ylpyrazine-2-carboxylic acid;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-6-propan-2-ylpyrimidine);5-methyl-4-propan-2-ylpyrimidine;bis(3-propan-2-ylpyridazine);4-propan-2-ylpyridazine;6-propan-2-ylpyridazine-3-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-2-carboxylic acid;4-propan-2-yl-1-(2H-tetrazol-5-yl)pyrimidin-1-ium
CID 159133408

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid (CID 158626742) is 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid is CC1(O)CCC(c2ccc(C(=O)O)cn2)CC1.Cc1cc(C(=O)O)cnc1-n1cccn1.Cc1cc(C)n(-c2ccc(C(=O)O)cn2)n1.Cc1ccn(-c2ccc(C(=O)O)cn2)n1.O=C(O)c1ccc(-n2ccnn2)nc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is HYRLYLYAYZRLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.C11H11N3O2.2C10H9N3O2.C8H6N4O2/c1-13(17)6-4-9(5-7-13)11-3-2-10(8-14-11)12(15)16;1-7-5-8(2)14(13-7)10-4-3-9(6-12-10)11(15)16;1-7-4-5-13(12-7)9-3-2-8(6-11-9)10(14)15;1-7-5-8(10(14)15)6-11-9(7)13-4-2-3-12-13;13-8(14)6-1-2-7(9-5-6)12-4-3-10-11-12/h2-3,8-9,17H,4-7H2,1H3,(H,15,16);3-6H,1-2H3,(H,15,16);2*2-6H,1H3,(H,14,15);1-5H,(H,13,14).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid?
6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 1049.07 g/mol, XLogP of 6.68, 10 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-hydroxy-4-methylcyclohexyl)pyridine-3-carboxylic acid;5-methyl-6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(3-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-(triazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 158626742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).