[(7R)-7-methyl-4-(1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Basic information
- CAS
1607479-47-9- Standard SMILES
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4cnn(C)c4n3)CC[C@H]2C)c1- InChIKey
QPYDPYTYFZJOHM-MRXNPFEDSA-N- Molecular formula
- C22H25N9O
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.21820645
Names & identifiers
- Preferred name
- [(7R)-7-methyl-4-(1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
- IUPAC
- [(7R)-7-methyl-4-(1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Names & synonyms
CHEMBL3260823DTXSID501100806BDBM50012603[(7R)-Hexahydro-7-methyl-4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-1H-1,4-diazepin-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone1607479-47-9
Database identifiers
- CAS
1607479-47-9- PubChem CID
- 90656178
- DTXSID
DTXSID501100806- ChEMBL
CHEMBL3260823
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 659
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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