Basic information
- Standard SMILES
C[C@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccncc23)CCN1C(=O)N1CCC(F)(F)CC1- InChIKey
FVNJIUAYHFNRDH-INIZCTEOSA-N- Molecular formula
- C25H25F5N6O
- Average molar mass
- 520.5 g/mol
Names & identifiers
- Preferred name
- (S)-(4,4-difluoropiperidin-1-yl)(2-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone
- IUPAC
- (4,4-difluoropiperidin-1-yl)-[(2S)-2-methyl-4-[1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]piperazin-1-yl]methanone
Names & synonyms
(S)-(4,4-difluoropiperidin-1-yl)(2-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanoneSCHEMBL3700333
Database identifiers
- PubChem CID
- 25227136
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 797
Experimental & physicochemical properties
Exact Mass520.20100025 Da
Molecular Weight520.5 g/mol
Monoisotopic Mass520.20100025 Da
Compound Is CanonicalizedYes
Related reactions
1 records
Compound notes
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