4-(5-Cyano-7-isopropyl-1,3-benzoxazol-2-yl)-N-({1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl}methyl)benzamide
Basic information
- Standard SMILES
CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(c5ccnc(N(C)C)n5)CC4)cc3)oc12- InChIKey
APNGJUJHVWKPLA-UHFFFAOYSA-N- Molecular formula
- C30H33N7O2
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.26957332
Names & identifiers
- Preferred name
- 4-(5-Cyano-7-isopropyl-1,3-benzoxazol-2-yl)-N-({1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl}methyl)benzamide
- IUPAC
- 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]benzamide
Names & synonyms
SCHEMBL3776377APNGJUJHVWKPLA-UHFFFAOYSA-N4-(5-Cyano-7-isopropyl-1,3-benzoxazol-2-yl)-N-({1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl}methyl)benzamide
Database identifiers
- PubChem CID
- 25170010
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 859
Related reactions
2 records
Compound notes
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