Basic information
- Standard SMILES
COc1cc(C(=O)NC2CCNCC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C- InChIKey
ODVBAYANYQNILT-UHFFFAOYSA-N- Molecular formula
- C26H32F3N7O3
- Average molar mass
- 547.6 g/mol
Names & identifiers
- Preferred name
- 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxy-N-piperidin-4-yl-benzamide
- IUPAC
- 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-piperidin-4-ylbenzamide
Names & synonyms
4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxy-N-piperidin-4-yl-benzamideSCHEMBL1560783
Database identifiers
- PubChem CID
- 57955672
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 874
Related reactions
2 records
Compound notes
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