9-(4-Methoxyphenyl)-2-methyl-7-(3-pyridinylmethyl)pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one
Basic information
- CAS
1158750-67-4- Standard SMILES
COc1ccc(-c2c3c(=O)n(Cc4cccnc4)ccc3nc3nc(C)nn23)cc1- InChIKey
CCWUGCNQWDLDOX-UHFFFAOYSA-N- Molecular formula
- C22H18N6O2
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.14912384
Names & identifiers
- Preferred name
- 9-(4-Methoxyphenyl)-2-methyl-7-(3-pyridinylmethyl)pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one
- IUPAC
- 8-(4-methoxyphenyl)-5-methyl-11-(pyridin-3-ylmethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
Names & synonyms
1158750-67-49-(4-Methoxyphenyl)-2-methyl-7-(3-pyridinylmethyl)pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one9-(4-methoxyphenyl)-2-methyl-7-(pyridin-3-ylmethyl)pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-oneDTXSID101111508STK871554AKOS0031732958-(4-methoxyphenyl)-5-methyl-11-(pyridin-3-ylmethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one9-(4-Methoxyphenyl)-2-methyl-7-[(pyridin-3-yl)methyl]pyrido[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-8(7H)-one
Database identifiers
- CAS
1158750-67-4- PubChem CID
- 43864892
- DTXSID
DTXSID101111508
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 652
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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