Basic information
- Standard SMILES
OCCCSc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1- InChIKey
OUXOROCQTQKSMG-UHFFFAOYSA-N- Molecular formula
- C23H22N4OS
- Average molar mass
- 402.5 g/mol
Names & identifiers
- Preferred name
- 3-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-ylsulfanyl]-propan-1-ol
- IUPAC
- 3-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]sulfanylpropan-1-ol
Names & synonyms
SCHEMBL411979OUXOROCQTQKSMG-UHFFFAOYSA-N3-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-ylsulfanyl]-propan-1-ol
Database identifiers
- PubChem CID
- 21992537
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 537
Related reactions
2 records
Compound notes
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