Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1nc(-c2cccc3c2c(C)cn3S(=O)(=O)c2ccc(C)cc2)nc2c1CN(c1cc(C(C)C)nn1C)CC2- InChIKey
XMIYNUIAIWHFEW-UHFFFAOYSA-N- Molecular formula
- C31H34N6O3S
- Average molar mass
- 570.7 g/mol
- Monoisotopic mass
- 570.24131014
Names & identifiers
- Preferred name
- 6-(3-isopropyl-1-methyl-1H-pyrazol-5-yl)-4-methoxy-2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
- IUPAC
- 4-methoxy-2-[3-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Names & synonyms
SCHEMBL14663044XMIYNUIAIWHFEW-UHFFFAOYSA-N6-(3-isopropyl-1-methyl-1H-pyrazol-5-yl)-4-methoxy-2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Database identifiers
- PubChem CID
- 71240596
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
3 records
Compound notes
Loading…