Basic information
- Standard SMILES
CC1CCCN1c1nc(-c2ccc(F)cc2)cc(N2CCN(c3ncc(CO)cc3Cl)CC2)n1- InChIKey
ISXBKHISYHSIQC-UHFFFAOYSA-N- Molecular formula
- C25H28ClFN6O
- Average molar mass
- 483 g/mol
Names & identifiers
- Preferred name
- (5-Chloro-6-{4-[6-(4-fluoro-phenyl)-2-(2-methyl-pyrrolidin-1-yl)pyrimidin-4-yl]-piperazin-1-yl}-pyridin-3-yl)-methanol
- IUPAC
- [5-chloro-6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanol
Names & synonyms
SCHEMBL908031ISXBKHISYHSIQC-UHFFFAOYSA-N(5-chloro-6-{4-[6-(4-fluoro-phenyl)-2-(2-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyridin-3-yl)-methanol(5-chloro-6-{4-[6-(4-fluoro-phenyl)-2-(2-methyl-pyrrolidin-1-yl)pyrimidin-4-yl]-piperazin-1-yl}-pyridin-3-yl)-methanol
Database identifiers
- PubChem CID
- 11670243
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 647
Related reactions
3 records
Compound notes
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