5-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid

HCID 67775107

Notes Reactions

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Basic information

Standard SMILES: CN(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1
InChIKey: BVOQFZLOVFZTBR-UHFFFAOYSA-N
Molecular formula: C14H15N7O3
Average molar mass: 329.31 g/mol
Monoisotopic mass: 329.12363737

Names & identifiers

Preferred name: 5-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
IUPAC: 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

Names & synonyms

SCHEMBL9106457BVOQFZLOVFZTBR-UHFFFAOYSA-NBDBM564454Roche-Dataset for PDE10A, Compound 7685-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Database identifiers

PubChem CID: 67775107

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 118 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 503

Related reactions

10 records

New reaction record

HRID 137085As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161606As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 294730As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1219264As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1238881As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1802206As productuspto-grants-2013_01

HRID 1802207As reactantuspto-grants-2013_01

HRID 1802208As reactantuspto-grants-2013_01

Compound notes

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