2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine

C21H17FN2OS — CID 143768873

IUPAC2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine
SMILESCCc1ccc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)nc1
InChIInChI=1S/C21H17FN2OS/c1-3-14-5-6-16(24-12-14)20-11-17-21(26-20)19(8-9-23-17)25-18-7-4-13(2)10-15(18)22/h4-12H,3H2,1-2H3
InChIKeyAXHKCWBQXJBDOL-UHFFFAOYSA-N
MW364.45 g/mol
LogP6.16
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine

2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine (PubChem CID 143768873) has the molecular formula C21H17FN2OS and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine
PubChem CID143768873
Molecular FormulaC21H17FN2OS
Molecular Weight364.45 g/mol
Exact Mass364.10
IUPAC Name2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine
SMILESCCc1ccc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)nc1
InChIInChI=1S/C21H17FN2OS/c1-3-14-5-6-16(24-12-14)20-11-17-21(26-20)19(8-9-23-17)25-18-7-4-13(2)10-15(18)22/h4-12H,3H2,1-2H3
InChIKeyAXHKCWBQXJBDOL-UHFFFAOYSA-N
XLogP6.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Fluoro-4-{[2-(pyridin-3-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901710
2-Ethyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]sulfonylindolizine
CID 13938137
2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine
CID 57448310
2-(2-Phenoxypyridin-3-Yl)[1,3]thiazolo[5,4-C]pyridine
CID 121231473
(NE)-N-[6-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 137648591
N'-[(4-fluorophenyl)methylsulfonyl]-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)hexanimidamide
CID 162664656
N'-benzylsulfonyl-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)hexanimidamide
CID 162673794
2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine
CID 57448305
2-[[4-[[3-(2-Methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methyl]-1,3-benzothiazole
CID 86766333
2-[2-[2-(Oxan-4-yl)ethoxy]phenyl]-[1,3]thiazolo[5,4-c]pyridine
CID 155516497
2-(2-Ethoxyphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 155537416
2-(2-Methoxyphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 155548255

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine (CID 143768873) is 2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine is CCc1ccc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine?
The InChIKey is AXHKCWBQXJBDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2OS/c1-3-14-5-6-16(24-12-14)20-11-17-21(26-20)19(8-9-23-17)25-18-7-4-13(2)10-15(18)22/h4-12H,3H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine?
2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine has a molecular weight of 364.45 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine is sourced from PubChem (CID 143768873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).