N-(3-chloro-4-(2-(3-(diethylamino)prop-1-ynyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

HCID 67348683

Notes Reactions

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Basic information

Standard SMILES: CCN(CC)CC#Cc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3Cl)c2s1
InChIKey: PIQJYEWMLCNHGU-UHFFFAOYSA-N
Molecular formula: C31H28ClFN4O3S
Average molar mass: 591.1 g/mol

Names & identifiers

Preferred name: N-(3-chloro-4-(2-(3-(diethylamino)prop-1-ynyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
IUPAC: 1-N'-[3-chloro-4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Names & synonyms

SCHEMBL2285587PIQJYEWMLCNHGU-UHFFFAOYSA-NN-(3-chloro-4-(2-(3-(diethylamino)prop-1-ynyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Database identifiers

PubChem CID: 67348683

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 117 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 41
Formal charge: 0
Complexity: 1,010

Related reactions

2 records

New reaction record

HRID 90742As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1676275As productuspto-grants-2011_08

Compound notes

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