1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(4-(4-methylpiperazine-1-carbonyl)phenyl)isoquinolin-3-yl)cyclopropanecarboxamide

HCID 57733022
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Basic information

Standard SMILES
CN1CCN(C(=O)c2ccc(-c3nc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)cc4ccccc34)cc2)CC1
InChIKey
LHXVVHAYZUZUGZ-UHFFFAOYSA-N
Molecular formula
C32H28F2N4O4
Average molar mass
570.6 g/mol
Monoisotopic mass
570.20786171

Names & identifiers

Preferred name
1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(4-(4-methylpiperazine-1-carbonyl)phenyl)isoquinolin-3-yl)cyclopropanecarboxamide
IUPAC
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-3-yl]cyclopropane-1-carboxamide

Names & synonyms

1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(4-(4-methylpiperazine-1-carbonyl)phenyl)isoquinolin-3-yl)cyclopropanecarboxamideSCHEMBL4177409

Database identifiers

PubChem CID
57733022

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
84 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
42

Related reactions

4 records
New reaction record

Linked notes

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