N2,N4-bis(7-indazolyl)-5-ethoxycarbonyl-2,4-pyrimidinediamine

HCID 22060714
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Basic information

Standard SMILES
CCOC(=O)c1cnc(Nc2cccc3cn[nH]c23)nc1Nc1cccc2cn[nH]c12
InChIKey
SSBMGLVAFSYTML-UHFFFAOYSA-N
Molecular formula
C21H18N8O2
Average molar mass
414.4 g/mol

Names & identifiers

Preferred name
N2,N4-bis(7-indazolyl)-5-ethoxycarbonyl-2,4-pyrimidinediamine
IUPAC
ethyl 2,4-bis(1H-indazol-7-ylamino)pyrimidine-5-carboxylate

Names & synonyms

SCHEMBL656789SSBMGLVAFSYTML-UHFFFAOYSA-NN2,N4-bis(7-indazolyl)-5-ethoxycarbonyl-2,4-pyrimidinediamine

Database identifiers

PubChem CID
22060714

Properties

Computed structural properties

XLogP
4
Topological polar surface area
134 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

Related reactions

24 records
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Linked notes

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