2-({5-Chloro-2-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)amino]-4-pyridinyl}amino)benzoic acid

HCID 59314460
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Basic information

Standard SMILES
CCn1nc(C)cc1Nc1cc(Nc2ccccc2C(=O)O)c(Cl)cn1
InChIKey
DHSVLNHDUZQTES-UHFFFAOYSA-N
Molecular formula
C18H18ClN5O2
Average molar mass
371.8 g/mol

Names & identifiers

Preferred name
2-({5-Chloro-2-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)amino]-4-pyridinyl}amino)benzoic acid
IUPAC
2-[[5-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)amino]-4-pyridinyl]amino]benzoic acid

Names & synonyms

SCHEMBL691652DHSVLNHDUZQTES-UHFFFAOYSA-N2-({5-Chloro-2-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)amino]-4-pyridinyl}amino)benzoic acid

Database identifiers

PubChem CID
59314460

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
92.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
26

Related reactions

4 records
New reaction record

Linked notes

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