4-((2-(5-Chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)-N-methylnicotinamide
Basic information
- CAS
773138-82-2- Standard SMILES
CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CCC2- InChIKey
ZABRLZVEWNLLSZ-UHFFFAOYSA-N- Molecular formula
- C20H17ClFN5O
- Average molar mass
- 397.8 g/mol
- Monoisotopic mass
- 397.110566
Names & identifiers
- Preferred name
- 4-((2-(5-Chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)-N-methylnicotinamide
- IUPAC
- 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
- English name
- 3-PyridinecarboxaMide, 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopentapyriMidin-4-yl]aMino]-N-Methyl- (9CI)
- Molecular formula
- C20H17ClFN5O
- Molecular weight
- 397.83
Names & synonyms
773138-82-24-((2-(5-Chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)-N-methylnicotinamide4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide4-{[2-(5-Chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino}-N-methylpyridine-3-carboxamideSCHEMBL2214058DTXSID70430931ZABRLZVEWNLLSZ-UHFFFAOYSA-NDB-3314724-[2-(5-Chloro-2-fluoro-phenyl)-6,7-dihydro-5H-cyclopentapyrimidin-4-ylamino]-N-methyl-nicotinamide4-(2-(5-chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-methylnicotinamide3-PyridinecarboxaMide, 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopentapyriMidin-4-yl]aMino]-N-Methyl- (9CI)
Database identifiers
- CAS
773138-82-2- PubChem CID
- 9800971
- DTXSID
DTXSID70430931
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- storage temp.
- 2 · 2-8°C
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Related reactions
1 records
Compound notes
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