Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc4cc(Br)c(=O)n(C5CCCC5)c4n3)nc2)CC1- InChIKey
PKBQZHGVLUXLFP-UHFFFAOYSA-N- Molecular formula
- C26H32BrN7O3
- Average molar mass
- 570.5 g/mol
- Monoisotopic mass
- 569.175
Names & identifiers
- Preferred name
- 4-[6-(6-Bromo-8-cyclopentyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL4828583PKBQZHGVLUXLFP-UHFFFAOYSA-N4-[6-(6-bromo-8-cyclopentyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine 1-carboxylic acid tert-butyl ester4-[6-(6-Bromo-8-cyclopentyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 11376540
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 867
Related reactions
10 records
Compound notes
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