Basic information
- Standard SMILES
COc1ccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc3ccccc23)cn1- InChIKey
FMVFSHPCCRUILM-UHFFFAOYSA-N- Molecular formula
- C26H19F2N3O4
- Average molar mass
- 475.4 g/mol
- Monoisotopic mass
- 475.13436242
Names & identifiers
- Preferred name
- 1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(6-methoxypyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
- IUPAC
- 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(6-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
Names & synonyms
1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(6-methoxypyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamideSCHEMBL29272481-(2,2-difluorobenzo-[d][1,3]dioxol-5-yl)-N-(1-(6-methoxypyridin-3-yl)isoquinolin-3-yl)cyclopropane-carboxamide
Database identifiers
- PubChem CID
- 57733010
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 797
Related reactions
8 records
Linked notes
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