[7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol

C21H22ClNO2S — CID 159974354

IUPAC[7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCCc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC1CCC1
InChIInChI=1S/C21H22ClNO2S/c1-2-14-8-15(22)9-18(20(14)25-12-13-4-3-5-13)17-6-7-23-19-10-16(11-24)26-21(17)19/h6-10,13,24H,2-5,11-12H2,1H3
InChIKeyOEYNKOHKWIIXMD-UHFFFAOYSA-N
MW387.93 g/mol
LogP5.85
Rot. Bonds6

About [7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol

[7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol (PubChem CID 159974354) has the molecular formula C21H22ClNO2S and a molecular weight of 387.93 g/mol. Its IUPAC name is [7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
PubChem CID159974354
Molecular FormulaC21H22ClNO2S
Molecular Weight387.93 g/mol
Exact Mass387.11
IUPAC Name[7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCCc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC1CCC1
InChIInChI=1S/C21H22ClNO2S/c1-2-14-8-15(22)9-18(20(14)25-12-13-4-3-5-13)17-6-7-23-19-10-16(11-24)26-21(17)19/h6-10,13,24H,2-5,11-12H2,1H3
InChIKeyOEYNKOHKWIIXMD-UHFFFAOYSA-N
XLogP5.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.93
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The IUPAC name of [7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol (CID 159974354) is [7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol.
What is the SMILES notation for [7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The canonical SMILES for [7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol is CCc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC1CCC1.
What is the InChIKey of [7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The InChIKey is OEYNKOHKWIIXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2S/c1-2-14-8-15(22)9-18(20(14)25-12-13-4-3-5-13)17-6-7-23-19-10-16(11-24)26-21(17)19/h6-10,13,24H,2-5,11-12H2,1H3.
What are the key properties of [7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
[7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol has a molecular weight of 387.93 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[5-chloro-2-(cyclobutylmethoxy)-3-ethylphenyl]thieno[3,2-b]pyridin-2-yl]methanol is sourced from PubChem (CID 159974354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).