Basic information
- Standard SMILES
COc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(Nc3cccc(N)c3)n2)cc1- InChIKey
KPRKTJOXMKNORT-UHFFFAOYSA-N- Molecular formula
- C29H29N7O
- Average molar mass
- 491.6 g/mol
Names & identifiers
- Preferred name
- N'-{[7-(cyclopentylamino)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrimidinyl}-1,3-benzenediamine
- IUPAC
- 3-N-[4-[7-(cyclopentylamino)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]benzene-1,3-diamine
Names & synonyms
SCHEMBL6338970KPRKTJOXMKNORT-UHFFFAOYSA-NN'-{[7-(cyclopentylamino)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrimidinyl}-1,3-benzenediamineN'-{4-[7-(Cyclopentylamino)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrimidinyl}-1,3-benzenediamineN'-{4-[7-(cyclopentylamino)-2-(4-methoxyphenyl)pyrazolo[1,5-alpha]pyridin-3-yl]-2-pyrimidinyl}-1,3-benzenediamine
Database identifiers
- PubChem CID
- 10141279
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 712
Related reactions
4 records
Compound notes
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