2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one

C16H13NO2S — CID 66674144

IUPAC2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one
SMILESO=c1[nH]ccc2cc(-c3ccc(OC4CC4)cc3)sc12
InChIInChI=1S/C16H13NO2S/c18-16-15-11(7-8-17-16)9-14(20-15)10-1-3-12(4-2-10)19-13-5-6-13/h1-4,7-9,13H,5-6H2,(H,17,18)
InChIKeyLBBGILFSPFBHDC-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.80
Rot. Bonds3

About 2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one

2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one (PubChem CID 66674144) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one
PubChem CID66674144
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one
SMILESO=c1[nH]ccc2cc(-c3ccc(OC4CC4)cc3)sc12
InChIInChI=1S/C16H13NO2S/c18-16-15-11(7-8-17-16)9-14(20-15)10-1-3-12(4-2-10)19-13-5-6-13/h1-4,7-9,13H,5-6H2,(H,17,18)
InChIKeyLBBGILFSPFBHDC-UHFFFAOYSA-N
XLogP3.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1R,4S)-4-aminocycloheptyl]oxy-2H-isoquinolin-1-one
CID 25109597
2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one
CID 66673316
6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one
CID 58093834
5-cycloheptyloxy-1H-indole
CID 82923976
4-(4-cyclopropyloxyphenyl)aniline
CID 114519885
6-[(1R,3S)-3-(methylaminomethyl)cyclopentyl]oxy-2H-isoquinolin-1-one
CID 59667354
6-[3-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
CID 66941580
6-[3-[(cyclopropylamino)methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
CID 66941212
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione
CID 67243853
6-[(1R,3S)-3-[[ethyl(methyl)amino]methyl]cyclopentyl]oxy-2H-isoquinolin-1-one
CID 59667352
5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid
CID 114522421
7-chloro-6-[4-(dicyclopropylamino)cyclohexyl]oxy-2H-isoquinolin-1-one
CID 58468127

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one?
The IUPAC name of 2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one (CID 66674144) is 2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one?
The canonical SMILES for 2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one is O=c1[nH]ccc2cc(-c3ccc(OC4CC4)cc3)sc12.
What is the InChIKey of 2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one?
The InChIKey is LBBGILFSPFBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c18-16-15-11(7-8-17-16)9-14(20-15)10-1-3-12(4-2-10)19-13-5-6-13/h1-4,7-9,13H,5-6H2,(H,17,18).
What are the key properties of 2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one?
2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one has a molecular weight of 283.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyloxyphenyl)-6H-thieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 66674144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).