Basic information
- Standard SMILES
COc1ccc(-c2nn3c(NC4CCCC4)ccnc3c2-c2ccnc(NC3CCCC3)n2)cc1- InChIKey
BKKLPKXTXSSVGS-UHFFFAOYSA-N- Molecular formula
- C27H31N7O
- Average molar mass
- 469.6 g/mol
Names & identifiers
- Preferred name
- N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
- IUPAC
- N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Names & synonyms
CHEMBL585150SCHEMBL5564752BKKLPKXTXSSVGS-UHFFFAOYSA-NN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amineN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4methoxyphenyl)pyrazolo[1,5-alpha]pyrimidin-7-amine
Database identifiers
- PubChem CID
- 45485648
- ChEMBL
CHEMBL585150
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 662
Related reactions
1 records
Compound notes
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