2-[4-(4-Amino-piperidine-1-carbonyl)-phenylamino]-9-cyclobutyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
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Basic information
- Standard SMILES
CN1C(=O)C(F)(F)CN(C2CCC2)c2nc(Nc3ccc(C(=O)N4CCC(N)CC4)cc3)ncc21- InChIKey
XJSVIHIQQOGDKK-UHFFFAOYSA-N- Molecular formula
- C24H29F2N7O2
- Average molar mass
- 485.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(4-Amino-piperidine-1-carbonyl)-phenylamino]-9-cyclobutyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
- IUPAC
- 2-[4-(4-aminopiperidine-1-carbonyl)anilino]-9-cyclobutyl-7,7-difluoro-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
Names & synonyms
2-[4-(4-amino-piperidine-1-carbonyl)-phenylamino]-9-cyclobutyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-oneSCHEMBL1559674
Database identifiers
- PubChem CID
- 44547355
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 782
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Related reactions
2 records
Compound notes
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