1-(4-(4-(5-Chloro-4-(7-(pyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazin-1-yl)ethanone

HCID 56683653

Basic information

Standard SMILES
COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(N4CCCC4)ccn23)n1
InChIKey
QNEXUFYNUMBJSS-UHFFFAOYSA-N
Molecular formula
C28H31ClN8O2
Average molar mass
547 g/mol

Names & identifiers

Preferred name
1-(4-(4-(5-Chloro-4-(7-(pyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazin-1-yl)ethanone
IUPAC
1-[4-[4-[[5-chloro-4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

Names & synonyms

CHEMBL1809223SCHEMBL3315203QNEXUFYNUMBJSS-UHFFFAOYSA-NBDBM503497641-(4-(4-(5-chloro-4-(7-(pyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazin-1-yl)ethanone

Database identifiers

PubChem CID
56683653
ChEMBL
CHEMBL1809223

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
91.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
39

Experimental & physicochemical properties

LogP3.5

Related reactions

2 records

Linked notes

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