Basic information
- Standard SMILES
Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CC[C@H]3COS(C)(=O)=O)n1- InChIKey
ADARMNPAPDPTIR-INIZCTEOSA-N- Molecular formula
- C20H20FN3O3S
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- (S)-methanesulfonic acid 3-(4-fluoro-phenyl)-2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-ylmethyl ester
- IUPAC
- [(6S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl]methyl methanesulfonate
Names & synonyms
SCHEMBL5239433ADARMNPAPDPTIR-INIZCTEOSA-N(S)-methanesulfonic acid 3-(4-fluoro-phenyl)-2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-ylmethyl ester
Database identifiers
- PubChem CID
- 87799512
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 635
Related reactions
1 records
Compound notes
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