3-chloro-4-[(2-methyl-3-oxo-6-propan-2-yl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl)amino]-N-(1-methyl-4-piperidyl)benzamide

HCID 68686342
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Basic information

Standard SMILES
CC(C)N1CCC(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3Cl)nc21
InChIKey
JZSRZPLJXVMOOF-UHFFFAOYSA-N
Molecular formula
C24H32ClN7O2
Average molar mass
486 g/mol
Monoisotopic mass
485.230601

Names & identifiers

Preferred name
3-chloro-4-[(2-methyl-3-oxo-6-propan-2-yl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl)amino]-N-(1-methyl-4-piperidyl)benzamide
IUPAC
3-chloro-4-[(5-methyl-6-oxo-9-propan-2-yl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide

Names & synonyms

SCHEMBL3550124JZSRZPLJXVMOOF-UHFFFAOYSA-N3-chloro-4-[(2-methyl-3-oxo-6-propan-2-yl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl)amino]-N-(1-methyl-4-piperidyl)benzamide

Database identifiers

PubChem CID
68686342

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
93.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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