1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2-methyl-1H-indol-5-yl)isoquinolin-3-yl)cyclopropanecarboxamide

HCID 57733025
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Basic information

Standard SMILES
Cc1cc2cc(-c3nc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)cc4ccccc34)ccc2[nH]1
InChIKey
GTWXLRPKFUPMGA-UHFFFAOYSA-N
Molecular formula
C29H21F2N3O3
Average molar mass
497.5 g/mol
Monoisotopic mass
497.15509786

Names & identifiers

Preferred name
1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2-methyl-1H-indol-5-yl)isoquinolin-3-yl)cyclopropanecarboxamide
IUPAC
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-methyl-1H-indol-5-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide

Names & synonyms

1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2-methyl-1H-indol-5-yl)isoquinolin-3-yl)cyclopropanecarboxamideSCHEMBL4181785

Database identifiers

PubChem CID
57733025

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
76.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
37

Related reactions

3 records
New reaction record

Compound notes

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