92538-66-4 Purity
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Specification
The molecular formula is C18H18ClN5O2.
The IUPAC name is [7-(3-chloroanilino)-3-methylimidazo[4,5-c]pyridin-4-yl]-morpholin-4-ylmethanone.
The InChI is InChI=1S/C18H18ClN5O2/c1-23-11-21-15-14(22-13-4-2-3-12(19)9-13)10-20-16(17(15)23)18(25)24-5-7-26-8-6-24/h2-4,9-11,22H,5-8H2,1H3.
The InChIKey is BBOFLVUDYNWKQA-UHFFFAOYSA-N.
The canonical SMILES is CN1C=NC2=C1C(=NC=C2NC3=CC(=CC=C3)Cl)C(=O)N4CCOCC4.
The molecular weight is 371.8 g/mol.
The XLogP3-AA value is 2.
It has 1 hydrogen bond donor count.
It has 5 hydrogen bond acceptor counts.
It has 3 rotatable bond counts.