8-(2-methoxybenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile
Basic information
- CAS
860610-70-4- Standard SMILES
COc1ccccc1CN1CCc2c(C)nc3c(C#N)cnn3c21- InChIKey
CGPHMEYICXYJGE-UHFFFAOYSA-N- Molecular formula
- C18H17N5O
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.14331018
Names & identifiers
- Preferred name
- 8-(2-methoxybenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile
- IUPAC
- 3-[(2-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile
Names & synonyms
8-(2-methoxybenzyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile860610-70-4DTXSID201110246AKOS00507646610T-02363-[(2-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile3-[(2-methoxyphenyl)methyl]-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile7,8-Dihydro-8-[(2-methoxyphenyl)methyl]-5-methyl-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine-3-carbonitrile
Database identifiers
- CAS
860610-70-4- PubChem CID
- 1482902
- DTXSID
DTXSID201110246
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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