8-(5-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)-N-(2-amino-4-fluorophenyl)octanamide

HCID 136387974

Notes Reactions

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Basic information

Standard SMILES: Cc1[nH]c(C=NN=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCCCCCC(=O)Nc1ccc(F)cc1N
InChIKey: HXZCOCNYAKNKFD-UHFFFAOYSA-N
Molecular formula: C30H33F2N7O3
Average molar mass: 577.6 g/mol

Names & identifiers

Preferred name: 8-(5-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)-N-(2-amino-4-fluorophenyl)octanamide
IUPAC: N-[8-(2-amino-4-fluoroanilino)-8-oxooctyl]-5-[[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

Names & synonyms

SCHEMBL4408099HXZCOCNYAKNKFD-UHFFFAOYSA-N8-(5-(((5-fluoro-2-oxoindolin-3-ylidene)hydrazono)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)-N-(2-amino-4-fluorophenyl)octanamide

Database identifiers

PubChem CID: 136387974

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 154 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 8
Rotatable bonds: 12
Heavy atoms: 42
Formal charge: 0
Complexity: 1,010

Related reactions

2 records

New reaction record

HRID 251681As productuspto-grants-2011_01

HRID 2148628As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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