Basic information
- Standard SMILES
CC(C)N1CCN(c2ccc(Nc3ncc(-c4ccc5c(c4)CNC5=O)n4ncnc34)cn2)CC1- InChIKey
KUPXYNXWFGYIDC-UHFFFAOYSA-N- Molecular formula
- C25H27N9O
- Average molar mass
- 469.5 g/mol
Names & identifiers
- Preferred name
- 5-(8-(6-(4-Isopropylpiperazin-1-yl)pyridin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)isoindolin-1-one
- IUPAC
- 5-[8-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
Names & synonyms
SCHEMBL1476116KUPXYNXWFGYIDC-UHFFFAOYSA-N5-(8-(6-(4-Isopropylpiperazin-1-yl)pyridin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)isoindolin-1-one
Database identifiers
- PubChem CID
- 24890645
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 744
Related reactions
2 records
Compound notes
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