4-(9-Cyclohexyl-7-ethyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
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Basic information
- Standard SMILES
CCC1(F)CN(C2CCCCC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2N(C)C1=O- InChIKey
BIBMZPCNPDUSHJ-UHFFFAOYSA-N- Molecular formula
- C30H42FN7O3
- Average molar mass
- 567.7 g/mol
- Monoisotopic mass
- 567.33331639
Names & identifiers
- Preferred name
- 4-(9-Cyclohexyl-7-ethyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
- IUPAC
- 4-[(9-cyclohexyl-7-ethyl-7-fluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Names & synonyms
SCHEMBL1675619BIBMZPCNPDUSHJ-UHFFFAOYSA-N4-(9-Cyclohexyl-7-ethyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Database identifiers
- PubChem CID
- 25252913
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 899
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Related reactions
3 records
Compound notes
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