Basic information
- Standard SMILES
CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(-c5cccc(NC(=O)OC(C)(C)C)c5)c4n3)c(Cl)c2)CC1- InChIKey
AUVLVBVPUGJSAE-UHFFFAOYSA-N- Molecular formula
- C29H32ClN7O3
- Average molar mass
- 562.1 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (3-(2-((2-chloro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate
- IUPAC
- tert-butyl N-[3-[2-[2-chloro-4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate
Names & synonyms
SCHEMBL16001221AUVLVBVPUGJSAE-UHFFFAOYSA-Ntert-Butyl (3-(2-((2-chloro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate
Database identifiers
- PubChem CID
- 86732035
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 922
Related reactions
1 records
Compound notes
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