N-Cyclopropyl-3-fluoro-5-(2-{[1-(hydroxymethyl)cyclopropyl]methyl}-4-{[(3S)-3-methylpiperazin-1-yl]methyl}-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide

HCID 59285271
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Basic information

Standard SMILES
Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC3(CO)CC3)cc(CN3CCN[C@@H](C)C3)c2c1
InChIKey
ADJCFPKVRVSTCX-IBGZPJMESA-N
Molecular formula
C31H37FN4O3
Average molar mass
532.6 g/mol

Names & identifiers

Preferred name
N-Cyclopropyl-3-fluoro-5-(2-{[1-(hydroxymethyl)cyclopropyl]methyl}-4-{[(3S)-3-methylpiperazin-1-yl]methyl}-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide
IUPAC
N-cyclopropyl-3-fluoro-5-[2-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1-oxoisoquinolin-6-yl]-4-methylbenzamide

Names & synonyms

SCHEMBL2394523ADJCFPKVRVSTCX-IBGZPJMESA-NN-Cyclopropyl-3-fluoro-5-(2-{[1-(hydroxymethyl)cyclopropyl]methyl}-4-{[(3S)-3-methylpiperazin-1-yl]methyl}-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzamide

Database identifiers

PubChem CID
59285271

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
84.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
39

Related reactions

1 records
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Compound notes

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