7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine

C24H22FN3OS — CID 91322305

IUPAC7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine
SMILESFc1ccccc1Oc1ccnc2cc(-c3ccc(CN4CCNCC4)cc3)sc12
InChIInChI=1S/C24H22FN3OS/c25-19-3-1-2-4-21(19)29-22-9-10-27-20-15-23(30-24(20)22)18-7-5-17(6-8-18)16-28-13-11-26-12-14-28/h1-10,15,26H,11-14,16H2
InChIKeyPYCYIMKGBYPJCG-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.30
Rot. Bonds5

About 7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine

7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine (PubChem CID 91322305) has the molecular formula C24H22FN3OS and a molecular weight of 419.53 g/mol. Its IUPAC name is 7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine
PubChem CID91322305
Molecular FormulaC24H22FN3OS
Molecular Weight419.53 g/mol
Exact Mass419.15
IUPAC Name7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine
SMILESFc1ccccc1Oc1ccnc2cc(-c3ccc(CN4CCNCC4)cc3)sc12
InChIInChI=1S/C24H22FN3OS/c25-19-3-1-2-4-21(19)29-22-9-10-27-20-15-23(30-24(20)22)18-7-5-17(6-8-18)16-28-13-11-26-12-14-28/h1-10,15,26H,11-14,16H2
InChIKeyPYCYIMKGBYPJCG-UHFFFAOYSA-N
XLogP5.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-Methylpiperazin-1-ylmethyl)phenyl]-7-[(4-phenoxyphenyl)amino]thieno[3,2-b]pyridine-6-carbonitrile
CID 5330073
3-(3-Fluoro-4-{[2-(pyridin-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901709
3-(3-Fluoro-4-{[2-(pyridin-3-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901710
N-(3-fluoro-4-(2-(4-((methyl(2-(4-methylpiperazin-1-yl)ethyl)amino)methyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 16040698
N-(3-fluoro-4-(2-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 16041238
N-(3-fluoro-4-(2-(4-(piperazin-1-ylmethyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 16717966
N-(3-fluoro-4-(2-(4-((4-methylpiperazin-1-yl)methyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 44564667
4-(4-(7-(2-fluoro-4-(2-oxo-3-phenylimidazolidine-1-carboxamido)phenoxy)thieno[3,2-b]pyridin-2-yl)benzyl)-N-methylpiperazine-1-carboxamide
CID 44564668
N-[4-[2-[4-[[2-(4-aminopiperazin-1-yl)ethyl-methylamino]methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 56678992
N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide
CID 71493897
N'-benzylsulfonyl-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)hexanimidamide
CID 162673794
1-(3-Fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-3-(2-phenylcyclopropyl)urea
CID 11582499

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine?
The IUPAC name of 7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine (CID 91322305) is 7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine is Fc1ccccc1Oc1ccnc2cc(-c3ccc(CN4CCNCC4)cc3)sc12.
What is the InChIKey of 7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine?
The InChIKey is PYCYIMKGBYPJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3OS/c25-19-3-1-2-4-21(19)29-22-9-10-27-20-15-23(30-24(20)22)18-7-5-17(6-8-18)16-28-13-11-26-12-14-28/h1-10,15,26H,11-14,16H2.
What are the key properties of 7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine?
7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine has a molecular weight of 419.53 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenoxy)-2-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine is sourced from PubChem (CID 91322305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).