Basic information
- Standard SMILES
CN1CCC(NC(=O)c2cc(Cl)c(Nc3ncc4c(n3)N(C3CCCC3)CC3(CC3)C(=O)N4C)cc2F)CC1- InChIKey
PBSPMVPTVQTIPO-UHFFFAOYSA-N- Molecular formula
- C28H35ClFN7O2
- Average molar mass
- 556.1 g/mol
Names & identifiers
- Preferred name
- 5-chloro-4-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepine]-2'-ylamino)-2-fluoro-N-(1-methyl-4-piperidyl)benzamide
- IUPAC
- 5-chloro-4-[(9-cyclopentyl-5-methyl-6-oxospiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-2-yl)amino]-2-fluoro-N-(1-methylpiperidin-4-yl)benzamide
Names & synonyms
SCHEMBL3545260PBSPMVPTVQTIPO-UHFFFAOYSA-N5-chloro-4-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepine]-2'-ylamino)-2-fluoro-N-(1-methyl-4-piperidyl)benzamide
Database identifiers
- PubChem CID
- 68684381
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 910
Related reactions
2 records
Compound notes
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