[7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol

C18H16BrClN2O2S — CID 138610494

IUPAC[7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESOCc1cc2nccc(-c3cc(Cl)cc(Br)c3OCC3CNC3)c2s1
InChIInChI=1S/C18H16BrClN2O2S/c19-15-4-11(20)3-14(17(15)24-9-10-6-21-7-10)13-1-2-22-16-5-12(8-23)25-18(13)16/h1-5,10,21,23H,6-9H2
InChIKeyTVAZNCWAVXNKID-UHFFFAOYSA-N
MW439.76 g/mol
LogP4.47
Rot. Bonds5

About [7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol

[7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol (PubChem CID 138610494) has the molecular formula C18H16BrClN2O2S and a molecular weight of 439.76 g/mol. Its IUPAC name is [7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol
PubChem CID138610494
Molecular FormulaC18H16BrClN2O2S
Molecular Weight439.76 g/mol
Exact Mass437.98
IUPAC Name[7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESOCc1cc2nccc(-c3cc(Cl)cc(Br)c3OCC3CNC3)c2s1
InChIInChI=1S/C18H16BrClN2O2S/c19-15-4-11(20)3-14(17(15)24-9-10-6-21-7-10)13-1-2-22-16-5-12(8-23)25-18(13)16/h1-5,10,21,23H,6-9H2
InChIKeyTVAZNCWAVXNKID-UHFFFAOYSA-N
XLogP4.47
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.76
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 159974354
[7-[2-(azetidin-2-ylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138609798
[7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138609796
5-chloro-2-cyclohexyloxy-3-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]benzonitrile
CID 159577431
[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138610055
[7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 158213457
1-[[7-[2-(3-azabicyclo[3.1.1]heptan-6-yloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 154606498
[7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138609790
[7-(5-fluoro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methanol
CID 138609793
7-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]-2-[(3,3,4,4-tetradeuteriopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridine
CID 155004889
[7-[(2R)-5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol
CID 162469805
1-[7-[2-[1-(azetidin-3-yl)ethoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 138610577

Frequently Asked Questions

What is the IUPAC name of [7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The IUPAC name of [7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol (CID 138610494) is [7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol.
What is the SMILES notation for [7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The canonical SMILES for [7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol is OCc1cc2nccc(-c3cc(Cl)cc(Br)c3OCC3CNC3)c2s1.
What is the InChIKey of [7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The InChIKey is TVAZNCWAVXNKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN2O2S/c19-15-4-11(20)3-14(17(15)24-9-10-6-21-7-10)13-1-2-22-16-5-12(8-23)25-18(13)16/h1-5,10,21,23H,6-9H2.
What are the key properties of [7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol?
[7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol has a molecular weight of 439.76 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[2-(azetidin-3-ylmethoxy)-3-bromo-5-chlorophenyl]thieno[3,2-b]pyridin-2-yl]methanol is sourced from PubChem (CID 138610494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).