Basic information
- Standard SMILES
c1ccc(-c2nn3c(NC4CCCC4)nc(NC4CCCC4)nc3c2-c2ccnc(NC3CCCC3)c2)cc1- InChIKey
AIYBJGKYTFEFTA-UHFFFAOYSA-N- Molecular formula
- C31H38N8
- Average molar mass
- 522.7 g/mol
- Monoisotopic mass
- 522.32194325
Names & identifiers
- Preferred name
- N2,N4-dicyclopentyl-8-[2-(cyclopentylamino)-4-pyridinyl]-7-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
- IUPAC
- 2-N,4-N-dicyclopentyl-8-[2-(cyclopentylamino)-4-pyridinyl]-7-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Names & synonyms
CHEMBL585153SCHEMBL14373999AIYBJGKYTFEFTA-UHFFFAOYSA-NN2,N4-dicyclopentyl-8-[2-(cyclopentylamino)-4-pyridinyl]-7-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamineN2,N4-dicyclopentyl-8-[2-(cyclopentylamino)-4-pyridyl]-7-phenyl-pyrazolo[1,5-a][1,3,5]triazine-2,4-diaminePyrazolo[1,5-a]-1,3,5-triazine-2,4-diamine, N,N'-dicyclopentyl-8-[2-(cyclopentylamino)-4-pyridinyl]-7-phenyl-
Database identifiers
- PubChem CID
- 9828137
- ChEMBL
CHEMBL585153
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 758
Related reactions
1 records
Compound notes
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