[7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol

C20H21FN2O2S — CID 138609790

IUPAC[7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCc1cc(F)cc(-c2ccnc3cc(CO)sc23)c1O[C@H]1CCCNC1
InChIInChI=1S/C20H21FN2O2S/c1-12-7-13(21)8-17(19(12)25-14-3-2-5-22-10-14)16-4-6-23-18-9-15(11-24)26-20(16)18/h4,6-9,14,22,24H,2-3,5,10-11H2,1H3/t14-/m0/s1
InChIKeyAQKBCIKRUMWFQO-AWEZNQCLSA-N
MW372.47 g/mol
LogP4.03
Rot. Bonds4

About [7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol

[7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol (PubChem CID 138609790) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is [7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
PubChem CID138609790
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name[7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol
SMILESCc1cc(F)cc(-c2ccnc3cc(CO)sc23)c1O[C@H]1CCCNC1
InChIInChI=1S/C20H21FN2O2S/c1-12-7-13(21)8-17(19(12)25-14-3-2-5-22-10-14)16-4-6-23-18-9-15(11-24)26-20(16)18/h4,6-9,14,22,24H,2-3,5,10-11H2,1H3/t14-/m0/s1
InChIKeyAQKBCIKRUMWFQO-AWEZNQCLSA-N
XLogP4.03
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(5-fluoro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methanol
CID 138609793
3-methyl-5-(2-methylthieno[3,2-b]pyridin-7-yl)-4-[(3S)-piperidin-3-yl]oxybenzonitrile
CID 138610504
3-[[7-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)thieno[3,2-b]pyridin-2-yl]methyl]piperazin-2-one
CID 168952662
3-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 138609907
3-[[7-[5-(difluoromethyl)-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 138610044
6-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 138610015
(3R)-1-[[7-[5-chloro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methoxypyrrolidine-2,5-dione
CID 138609808
[7-[2-[[(2R)-azetidin-2-yl]methoxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138609796
[7-[2-(azetidin-2-ylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 138609798
5-chloro-2-cyclohexyloxy-3-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]benzonitrile
CID 159577431
[7-[5-chloro-2-[(1-fluorocyclobutyl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 158213457
7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 170034840

Frequently Asked Questions

What is the IUPAC name of [7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The IUPAC name of [7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol (CID 138609790) is [7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol.
What is the SMILES notation for [7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The canonical SMILES for [7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol is Cc1cc(F)cc(-c2ccnc3cc(CO)sc23)c1O[C@H]1CCCNC1.
What is the InChIKey of [7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
The InChIKey is AQKBCIKRUMWFQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-12-7-13(21)8-17(19(12)25-14-3-2-5-22-10-14)16-4-6-23-18-9-15(11-24)26-20(16)18/h4,6-9,14,22,24H,2-3,5,10-11H2,1H3/t14-/m0/s1.
What are the key properties of [7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol?
[7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol has a molecular weight of 372.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[5-fluoro-3-methyl-2-[(3S)-piperidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol is sourced from PubChem (CID 138609790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).