N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-N'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-5-nitrobenzene-1,4-diamine

HCID 71270273
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Basic information

Standard SMILES
COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIKey
GPXCDVYRRDTDHC-UHFFFAOYSA-N
Molecular formula
C23H25ClN8O3
Average molar mass
496.9 g/mol
Monoisotopic mass
496.1738144

Names & identifiers

Preferred name
N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-N'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-5-nitrobenzene-1,4-diamine
IUPAC
1-N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine

Names & synonyms

SCHEMBL14719218GPXCDVYRRDTDHC-UHFFFAOYSA-NN-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-N'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-5-nitrobenzene-1,4-diamine

Database identifiers

PubChem CID
71270273

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
117 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
35

Related reactions

2 records
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Linked notes

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