1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid

C18H14N6O3 — CID 159476832

IUPAC1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Cc1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C18H14N6O3/c1-23-16(13(9-20-23)18(26)27)14(25)7-11-4-5-15-21-17(22-24(15)10-11)12-3-2-6-19-8-12/h2-6,8-10H,7H2,1H3,(H,26,27)
InChIKeyLWMHHBRMQZNLRI-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.65
Rot. Bonds5

About 1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid

1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid (PubChem CID 159476832) has the molecular formula C18H14N6O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid
PubChem CID159476832
Molecular FormulaC18H14N6O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC Name1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Cc1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C18H14N6O3/c1-23-16(13(9-20-23)18(26)27)14(25)7-11-4-5-15-21-17(22-24(15)10-11)12-3-2-6-19-8-12/h2-6,8-10H,7H2,1H3,(H,26,27)
InChIKeyLWMHHBRMQZNLRI-UHFFFAOYSA-N
XLogP1.65
TPSA115.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
CID 71538143
3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 155547970
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57377957
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565551
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71506857
6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566488
2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyridazin-3-yl)pyrazol-5-yl]ethanone
CID 157386298
1-methyl-5-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 166202894
1-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 61266867
6-bromo-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83965227
1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone
CID 158648363
1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114638939

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid (CID 159476832) is 1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)Cc1ccc2nc(-c3cccnc3)nn2c1.
What is the InChIKey of 1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid?
The InChIKey is LWMHHBRMQZNLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3/c1-23-16(13(9-20-23)18(26)27)14(25)7-11-4-5-15-21-17(22-24(15)10-11)12-3-2-6-19-8-12/h2-6,8-10H,7H2,1H3,(H,26,27).
What are the key properties of 1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid?
1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid has a molecular weight of 362.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 159476832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).