Basic information
- Standard SMILES
CSc1ncc2ccc3c(C(N)=O)nn(CC4CCNCC4)c3c2n1- InChIKey
YDPXWMLSPPALQZ-UHFFFAOYSA-N- Molecular formula
- C17H20N6OS
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- 8-(methylsulfanyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
- IUPAC
- 8-methylsulfanyl-1-(piperidin-4-ylmethyl)pyrazolo[4,5-h]quinazoline-3-carboxamide
Names & synonyms
SCHEMBL9940832YDPXWMLSPPALQZ-UHFFFAOYSA-N8-(methylsulfanyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
Database identifiers
- PubChem CID
- 57389554
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Related reactions
1 records
Compound notes
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