6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one

C20H16N2O2S — CID 161157492

IUPAC6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1ccc(-c2cnc3c(c2)N(CC(=O)c2cccs2)C(=O)C3)cc1
InChIInChI=1S/C20H16N2O2S/c1-13-4-6-14(7-5-13)15-9-17-16(21-11-15)10-20(24)22(17)12-18(23)19-3-2-8-25-19/h2-9,11H,10,12H2,1H3
InChIKeyUPMIFXNJWSISOH-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.89
Rot. Bonds4

About 6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one

6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 161157492) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID161157492
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1ccc(-c2cnc3c(c2)N(CC(=O)c2cccs2)C(=O)C3)cc1
InChIInChI=1S/C20H16N2O2S/c1-13-4-6-14(7-5-13)15-9-17-16(21-11-15)10-20(24)22(17)12-18(23)19-3-2-8-25-19/h2-9,11H,10,12H2,1H3
InChIKeyUPMIFXNJWSISOH-UHFFFAOYSA-N
XLogP3.89
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one with MolForge

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Related Compounds

2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone
CID 175736312
4-(2-oxo-2-thiophen-2-ylethyl)-6-(1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
CID 39086387
2-(2-oxo-2-thiophen-2-ylethyl)isoindole-1,3-dione
CID 7960051
7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione
CID 62023101
2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 60971710
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 7561979
6-(3-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 134494002
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
2-(4-methylazepan-1-yl)-1-thiophen-2-ylethanone
CID 63622264
1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 90363401
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
4-(2,4-dimethylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793557

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one (CID 161157492) is 6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one is Cc1ccc(-c2cnc3c(c2)N(CC(=O)c2cccs2)C(=O)C3)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is UPMIFXNJWSISOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-4-6-14(7-5-13)15-9-17-16(21-11-15)10-20(24)22(17)12-18(23)19-3-2-8-25-19/h2-9,11H,10,12H2,1H3.
What are the key properties of 6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 348.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 161157492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).