N-(4-(1-(4-methoxybenzyl)-3-(3-bromo-5-((4-methylpiperazin-1-yl)methyl)furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

HCID 68516486

Basic information

Standard SMILES
COc1ccc(Cn2nc(-c3oc(CN4CCN(C)CC4)cc3Br)c3c(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)ccnc32)cc1
InChIKey
UATCNHMJUNQBDF-UHFFFAOYSA-N
Molecular formula
C41H38BrF2N7O5
Average molar mass
826.7 g/mol

Names & identifiers

Preferred name
N-(4-(1-(4-methoxybenzyl)-3-(3-bromo-5-((4-methylpiperazin-1-yl)methyl)furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
IUPAC
1-N'-[4-[3-[3-bromo-5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxy-3-fluorophenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Names & synonyms

SCHEMBL3112879UATCNHMJUNQBDF-UHFFFAOYSA-NN-(4-(1-(4-methoxybenzyl)-3-(3-bromo-5-((4-methylpiperazin-1-yl)methyl)furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-N-(4-fluorophenyl)-cyclopropane-1,1-dicarboxamideN-(4-(1-(4-methoxybenzyl)-3-(3-bromo-5-((4-methylpiperazin-1-yl)methyl)furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Database identifiers

PubChem CID
68516486

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
132 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
12
Heavy atoms
56

Related reactions

4 records

Compound notes

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