Basic information
- Standard SMILES
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc12- InChIKey
SAFPZVKGPSYIMD-UHFFFAOYSA-N- Molecular formula
- C23H28BrN7O
- Average molar mass
- 498.4 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-8-cyclopentyl-5-methyl-2-[5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino]-8H-pyrido[2,3-d]pyrimidin-7-one
- IUPAC
- 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
Names & synonyms
6-Bromo-8-cyclopentyl-5-methyl-2-[5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino]-8H-pyrido[2,3-d]pyrimidin-7-onePyrido-[2,3-d]-pyrimidin-7-one 47BDBM6313CHEMBL189848SCHEMBL4830785SCHEMBL29507443SAFPZVKGPSYIMD-UHFFFAOYSA-N6-bromo-8-cyclopentyl-5-methyl-2-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
Database identifiers
- PubChem CID
- 5330290
- ChEMBL
CHEMBL189848
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 719
Related reactions
7 records
Compound notes
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