Basic information
- Standard SMILES
CC1Cc2ccc(-c3ccnc(C(=O)N4CCC4)c3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1- InChIKey
FNTTWNFRIYGTMS-UHFFFAOYSA-N- Molecular formula
- C28H34N8O
- Average molar mass
- 498.6 g/mol
Names & identifiers
- Preferred name
- 4-[7-[2-(azetidin-1-ylcarbonyl)pyridin-4-yl]-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
- IUPAC
- [4-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyridinyl]-(azetidin-1-yl)methanone
Names & synonyms
SCHEMBL2563793FNTTWNFRIYGTMS-UHFFFAOYSA-N4-[7-[2-(azetidin-1-ylcarbonyl)pyridin-4-yl]-3-methyl-3,4-dihydroisoquinolin-2 (1H)-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine4-[7-[2-(azetidin-1-ylcarbonyl)pyridin-4-yl]-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
Database identifiers
- PubChem CID
- 46701786
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 786
Related reactions
3 records
Compound notes
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