2-{4-[6-(3-Chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidine-5-carbonitrile
Basic information
- Standard SMILES
CC1CCCN1c1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncc(C#N)cn3)CC2)n1- InChIKey
LFVYNOYDTPEVEH-UHFFFAOYSA-N- Molecular formula
- C24H24ClFN8
- Average molar mass
- 479 g/mol
Names & identifiers
- Preferred name
- 2-{4-[6-(3-Chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidine-5-carbonitrile
- IUPAC
- 2-[4-[6-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL908003LFVYNOYDTPEVEH-UHFFFAOYSA-N2-{4-[6-(3-Chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 57762003
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 719
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Related reactions
3 records
Compound notes
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