4-Chloro-7-(1-(tert-butoxycarbonyl)-5-[(pyridin-3-ylmethyl)amino methyl]indol-2-yl)isoindolinone

HCID 68491978
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Basic information

Standard SMILES
CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CNCc3cccnc3)ccc21
InChIKey
QFRFHGGBFHDDMU-UHFFFAOYSA-N
Molecular formula
C28H27ClN4O3
Average molar mass
503 g/mol

Names & identifiers

Preferred name
4-Chloro-7-(1-(tert-butoxycarbonyl)-5-[(pyridin-3-ylmethyl)amino methyl]indol-2-yl)isoindolinone
IUPAC
tert-butyl 2-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-5-[(pyridin-3-ylmethylamino)methyl]indole-1-carboxylate

Names & synonyms

SCHEMBL3046700QFRFHGGBFHDDMU-UHFFFAOYSA-N4-chloro-7-(1-(tert-butoxycarbonyl)-5-[(pyridin-3-ylmethyl)amino methyl]indol-2-yl)isoindolinone

Database identifiers

PubChem CID
68491978

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
85.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
36

Related reactions

1 records
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Linked notes

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