Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(C)c3c(-c4nc5c(c(N6CCCC(C)(C)C6)n4)CN(c4c(Cl)c(C(C)C)nn4C)CC5)cccc32)cc1- InChIKey
TTWGNZBNSFJVAC-UHFFFAOYSA-N- Molecular formula
- C37H44ClN7O2S
- Average molar mass
- 686.3 g/mol
Names & identifiers
- Preferred name
- 6-(4-chloro-3-isopropyl-1-methyl-1H-pyrazol-5-yl)-4-(3,3-dimethylpiperidin-1-yl)-2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
- IUPAC
- 6-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(3,3-dimethylpiperidin-1-yl)-2-[3-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Names & synonyms
SCHEMBL14663004TTWGNZBNSFJVAC-UHFFFAOYSA-N6-(4-chloro-3-isopropyl-1-methyl-1H-pyrazol-5-yl)-4-(3,3-dimethylpiperidin-1-yl)-2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Database identifiers
- PubChem CID
- 71240567
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
2 records
Compound notes
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