[7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol

C19H19ClN2O2S — CID 138609796

IUPAC[7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OC[C@H]1CCN1
InChIInChI=1S/C19H19ClN2O2S/c1-11-6-12(20)7-16(18(11)24-10-13-2-4-21-13)15-3-5-22-17-8-14(9-23)25-19(15)17/h3,5-8,13,21,23H,2,4,9-10H2,1H3/t13-/m1/s1
InChIKeyRJDCCWJAWVZUIU-CYBMUJFWSA-N
MW374.89 g/mol
LogP4.16
Rot. Bonds5

About [7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol

[7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol (PubChem CID 138609796) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is [7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
PubChem CID138609796
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name[7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OC[C@H]1CCN1
InChIInChI=1S/C19H19ClN2O2S/c1-11-6-12(20)7-16(18(11)24-10-13-2-4-21-13)15-3-5-22-17-8-14(9-23)25-19(15)17/h3,5-8,13,21,23H,2,4,9-10H2,1H3/t13-/m1/s1
InChIKeyRJDCCWJAWVZUIU-CYBMUJFWSA-N
XLogP4.16
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The IUPAC name of [7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol (CID 138609796) is [7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol.
What is the SMILES notation for [7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The canonical SMILES for [7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol is Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OC[C@H]1CCN1.
What is the InChIKey of [7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The InChIKey is RJDCCWJAWVZUIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-11-6-12(20)7-16(18(11)24-10-13-2-4-21-13)15-3-5-22-17-8-14(9-23)25-19(15)17/h3,5-8,13,21,23H,2,4,9-10H2,1H3/t13-/m1/s1.
What are the key properties of [7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
[7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol has a molecular weight of 374.89 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol is sourced from PubChem (CID 138609796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).