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Basic information
- Standard SMILES
c1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4nc5cccnc5[nH]4)CC3)cc2)cc1- InChIKey
JCDVPPQJBRAPJR-UHFFFAOYSA-N- Molecular formula
- C30H27N7
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.23279389
Names & identifiers
- Preferred name
- 2-{1-[4-(6-phenyl-imidazo[1,2-a]pyrimidin-7-yl)-benzyl]-piperidin-4-yl}-3H-imidazo[4,5-b]pyridine
- IUPAC
- 7-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-6-phenylimidazo[1,2-a]pyrimidine
Names & synonyms
SCHEMBL3703012CHEMBL3672010JCDVPPQJBRAPJR-UHFFFAOYSA-NBDBM145869US8957064, 7.02-{1-[4-(6-phenyl-imidazo[1,2-a]pyrimidin-7-yl)-benzyl]-piperidin-4-yl}-3H-imidazo[4,5-b]pyridine
Database identifiers
- PubChem CID
- 68751039
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 727
Related reactions
1 records
Compound notes
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