1-(2,2-difluorobenzo-[d][1,3]dioxol-5-yl)-N-(1-(6-oxo-1,6-dihydropyridin-3-yl)isoquinolin-3-yl)cyclopropane-carboxamide

HCID 57733024
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Basic information

Standard SMILES
O=C(Nc1cc2ccccc2c(-c2ccc(=O)[nH]c2)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIKey
YUGDYNRIIAEVRE-UHFFFAOYSA-N
Molecular formula
C25H17F2N3O4
Average molar mass
461.4 g/mol

Names & identifiers

Preferred name
1-(2,2-difluorobenzo-[d][1,3]dioxol-5-yl)-N-(1-(6-oxo-1,6-dihydropyridin-3-yl)isoquinolin-3-yl)cyclopropane-carboxamide
IUPAC
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(6-oxo-1H-pyridin-3-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide

Names & synonyms

1-(2,2-difluorobenzo-[d][1,3]dioxol-5-yl)-N-(1-(6-oxo-1,6-dihydropyridin-3-yl)isoquinolin-3-yl)cyclopropane-carboxamideSCHEMBL4174716

Database identifiers

PubChem CID
57733024

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
89.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
34

Related reactions

4 records
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Compound notes

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