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
- Formal charge
- 0
- Complexity
- 825
Experimental & physicochemical properties
LogP3.5
Related reactions
2 records
Linked notes
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