7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine

C21H19FN2OS — CID 126589921

IUPAC7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine
SMILESCc1ccc(Oc2ccnc3cc(C4=CCCC=CN4C)sc23)c(F)c1
InChIInChI=1S/C21H19FN2OS/c1-14-7-8-18(15(22)12-14)25-19-9-10-23-16-13-20(26-21(16)19)17-6-4-3-5-11-24(17)2/h5-13H,3-4H2,1-2H3
InChIKeyJFGIBMLRXKITFB-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.12
Rot. Bonds3

About 7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine

7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine (PubChem CID 126589921) has the molecular formula C21H19FN2OS and a molecular weight of 366.46 g/mol. Its IUPAC name is 7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine
PubChem CID126589921
Molecular FormulaC21H19FN2OS
Molecular Weight366.46 g/mol
Exact Mass366.12
IUPAC Name7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine
SMILESCc1ccc(Oc2ccnc3cc(C4=CCCC=CN4C)sc23)c(F)c1
InChIInChI=1S/C21H19FN2OS/c1-14-7-8-18(15(22)12-14)25-19-9-10-23-16-13-20(26-21(16)19)17-6-4-3-5-11-24(17)2/h5-13H,3-4H2,1-2H3
InChIKeyJFGIBMLRXKITFB-UHFFFAOYSA-N
XLogP6.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine with MolForge

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Related Compounds

7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine
CID 126590233
[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid
CID 66649055
3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 141490421
3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 59424431
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
7-(2-fluoro-4-nitrophenoxy)-2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridine
CID 174676619
N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine
CID 123498687
methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate
CID 59424445
N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide
CID 126590416
1-cyclopropyl-3-[3-fluoro-4-[2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 158339736
1-cyclopropyl-3-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;sulfur dioxide
CID 123194909
1-[1-[2-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone
CID 159461841

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine?
The IUPAC name of 7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine (CID 126589921) is 7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine.
What is the SMILES notation for 7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine?
The canonical SMILES for 7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine is Cc1ccc(Oc2ccnc3cc(C4=CCCC=CN4C)sc23)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine?
The InChIKey is JFGIBMLRXKITFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2OS/c1-14-7-8-18(15(22)12-14)25-19-9-10-23-16-13-20(26-21(16)19)17-6-4-3-5-11-24(17)2/h5-13H,3-4H2,1-2H3.
What are the key properties of 7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine?
7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine has a molecular weight of 366.46 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine is sourced from PubChem (CID 126589921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).