[7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol

C20H19ClFNO2S — CID 158213457

IUPAC[7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC1(F)CCC1
InChIInChI=1S/C20H19ClFNO2S/c1-12-7-13(21)8-16(18(12)25-11-20(22)4-2-5-20)15-3-6-23-17-9-14(10-24)26-19(15)17/h3,6-9,24H,2,4-5,10-11H2,1H3
InChIKeyGCIWUPRPHPPAMK-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.69
Rot. Bonds5

About [7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol

[7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol (PubChem CID 158213457) has the molecular formula C20H19ClFNO2S and a molecular weight of 391.90 g/mol. Its IUPAC name is [7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
PubChem CID158213457
Molecular FormulaC20H19ClFNO2S
Molecular Weight391.90 g/mol
Exact Mass391.08
IUPAC Name[7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC1(F)CCC1
InChIInChI=1S/C20H19ClFNO2S/c1-12-7-13(21)8-16(18(12)25-11-20(22)4-2-5-20)15-3-6-23-17-9-14(10-24)26-19(15)17/h3,6-9,24H,2,4-5,10-11H2,1H3
InChIKeyGCIWUPRPHPPAMK-UHFFFAOYSA-N
XLogP5.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.69
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-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The IUPAC name of [7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol (CID 158213457) is [7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol.
What is the SMILES notation for [7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The canonical SMILES for [7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol is Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC1(F)CCC1.
What is the InChIKey of [7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The InChIKey is GCIWUPRPHPPAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFNO2S/c1-12-7-13(21)8-16(18(12)25-11-20(22)4-2-5-20)15-3-6-23-17-9-14(10-24)26-19(15)17/h3,6-9,24H,2,4-5,10-11H2,1H3.
What are the key properties of [7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
[7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol has a molecular weight of 391.90 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol is sourced from PubChem (CID 158213457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).