Basic information
- Standard SMILES
COc1nc(-c2c(C)ccc3c2cnn3S(=O)(=O)c2ccc(C)cc2)nc2c1CN(c1cc(C(C)C)ccc1C)CC2- InChIKey
KVEQFSVQQUMYRS-UHFFFAOYSA-N- Molecular formula
- C33H35N5O3S
- Average molar mass
- 581.7 g/mol
Names & identifiers
- Preferred name
- 6-(5-isopropyl-2-methylphenyl)-4-methoxy-2-(5-methyl-1-tosyl-1H-indazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
- IUPAC
- 4-methoxy-2-[5-methyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Names & synonyms
SCHEMBL14662899KVEQFSVQQUMYRS-UHFFFAOYSA-N6-(5-isopropyl-2-methylphenyl)-4-methoxy-2-(5-methyl-1-tosyl-1H-indazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Database identifiers
- PubChem CID
- 71240489
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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