Basic information
- Standard SMILES
CN1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)Cc3ccc(Cl)nc3)CC4)nc(N)n2)CC1- InChIKey
LQGIGLIGIZPBIH-UHFFFAOYSA-N- Molecular formula
- C25H28ClN7O
- Average molar mass
- 478 g/mol
- Monoisotopic mass
- 477.2043862
Names & identifiers
- Preferred name
- 4-{2-[(6-Chloropyridin-3-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
- IUPAC
- 1-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(6-chloro-3-pyridinyl)ethanone
Names & synonyms
4-{2-[(6-Chloropyridin-3-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine4-{2-[(6-Chloropyridin-3-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-7-yl}-6-(4-methylpiperazin-1-yl)pyrimidin-2-amineSCHEMBL2803715LQGIGLIGIZPBIH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 49779772
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 690
Related reactions
2 records
Compound notes
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