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Basic information
- Standard SMILES
CN1CCN(CC(=O)Nc2nc3ccc(Oc4cccc(NC(=O)c5cccc(C(C)(C)C#N)c5)c4)cn3n2)CC1- InChIKey
DOGRQEVVUOJIMR-UHFFFAOYSA-N- Molecular formula
- C30H32N8O3
- Average molar mass
- 552.6 g/mol
- Monoisotopic mass
- 552.25973691
Names & identifiers
- Preferred name
- 3-(1-cyano-1-methylethyl)-N-{3-[(2-{[(4-methylpiperazin-1-yl)acetyl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl}benzamide
- IUPAC
- 3-(2-cyanopropan-2-yl)-N-[3-[[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]benzamide
Names & synonyms
SCHEMBL4293031DOGRQEVVUOJIMR-UHFFFAOYSA-N3-(1-cyano-1-methylethyl)-N-{3-[(2-{[(4-methylpiperazin-1-yl)acetyl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl}benzamide
Database identifiers
- PubChem CID
- 57749189
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 961
Related reactions
1 records
Compound notes
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