Basic information
- Standard SMILES
O=c1c(Br)cc2cnc(Nc3ccccn3)nc2n1C1CCCC1- InChIKey
JPJBKLUESOYNLD-UHFFFAOYSA-N- Molecular formula
- C17H16BrN5O
- Average molar mass
- 386.2 g/mol
- Monoisotopic mass
- 385.05382
Names & identifiers
- Preferred name
- 6-Bromo-8-cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
- IUPAC
- 6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
Names & synonyms
6-Bromo-8-cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-onePyrido-[2,3-d]-pyrimidin-7-one 39BDBM6305CHEMBL189745SCHEMBL4181246SCHEMBL29507428JPJBKLUESOYNLD-UHFFFAOYSA-N6-bromo-8-cyclopentyl-2-(pyridin-2-ylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
Database identifiers
- PubChem CID
- 5330282
- ChEMBL
CHEMBL189745
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 507
Related reactions
4 records
Compound notes
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