N-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-fluorophenyl]-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide (HCID 57749167)

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Basic information

Standard SMILES: CCn1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)c(C)n1
InChIKey: FERSXEJPEHJRJV-UHFFFAOYSA-N
Molecular formula: C23H22FN7O3
Average molar mass: 463.5 g/mol
Monoisotopic mass: 463.17681575

Names & identifiers

Preferred name: N-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-fluorophenyl]-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide
IUPAC: N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide

Names & synonyms

SCHEMBL4288152FERSXEJPEHJRJV-UHFFFAOYSA-NN-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-fluorophenyl]-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide

Database identifiers

PubChem CID: 57749167

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 115 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 756

Related reactions

2 records

New reaction record

HRID 1559021As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1874523As productuspto-grants-2012_11

Compound notes

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