Basic information
- Standard SMILES
N#CCCn1cc(-c2ccc3cnc(Nc4ccc(C5CCN(CC(N)=O)CC5)cc4)nn23)cn1- InChIKey
VTTLRNNDNWXQCX-UHFFFAOYSA-N- Molecular formula
- C25H27N9O
- Average molar mass
- 469.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(4-{7-[1-(2-Cyano-ethyl)-1H-pyrazol-4-yl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-phenyl)-piperidin-1-yl]-acetamide
- IUPAC
- 2-[4-[4-[[7-[1-(2-cyanoethyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
Names & synonyms
SCHEMBL521261VTTLRNNDNWXQCX-UHFFFAOYSA-N2-[4-(4-{7-[1-(2-Cyano-ethyl)-1H-pyrazol-4-yl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-phenyl)-piperidin-1-yl]-acetamide
Database identifiers
- PubChem CID
- 66712151
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 755
Related reactions
2 records
Compound notes
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