5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one

C12H13N3OS2 — CID 57335445

IUPAC5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one
SMILESCSc1sc(-c2ccn[nH]2)c2c1C(=O)N(C)CC2
InChIInChI=1S/C12H13N3OS2/c1-15-6-4-7-9(11(15)16)12(17-2)18-10(7)8-3-5-13-14-8/h3,5H,4,6H2,1-2H3,(H,13,14)
InChIKeyVRWNPAJPJVSUGL-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.49
Rot. Bonds2

About 5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one

5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one (PubChem CID 57335445) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one
PubChem CID57335445
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one
SMILESCSc1sc(-c2ccn[nH]2)c2c1C(=O)N(C)CC2
InChIInChI=1S/C12H13N3OS2/c1-15-6-4-7-9(11(15)16)12(17-2)18-10(7)8-3-5-13-14-8/h3,5H,4,6H2,1-2H3,(H,13,14)
InChIKeyVRWNPAJPJVSUGL-UHFFFAOYSA-N
XLogP2.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one with MolForge

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Related Compounds

(6r)-3-(Methylsulfanyl)-6-Phenyl-1-(1h-Pyrazol-3-Yl)-6,7-Dihydrothieno[3,4-C]pyridin-4(5h)-One
CID 57334388
6,6-dimethyl-3-(methylthio)-1-(1H-pyrazol-3-yl)-6,7-dihydrobenzo[c]thiophen-4(5H)-one
CID 2820108
3-Ethyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6,7-dihydro-5H-benzo[c]thiophen-4-one
CID 11000261
6,6-Dimethyl-3-propylsulfanyl-1-(1H-pyrazol-3-yl)-6,7-dihydro-5H-benzo[c]thiophen-4-one
CID 11001755
3-Butylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6,7-dihydro-5H-benzo[c]thiophen-4-one
CID 11045912
3-tert-Butylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6,7-dihydro-5H-benzo[c]thiophen-4-one
CID 11067632
3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6,7-dihydro-5H-benzo[c]thiophen-4-one
CID 11099263
3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6,7-dihydro-5H-benzo[c]thiophen-4-one
CID 11120348
3-(cyclopentylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6,7-dihydro-2-benzothiophen-4(5H)-one
CID 21184460
3-(Methylsulfanyl)-1-(1H-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5H)-one
CID 57334382
6-benzyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 57334383
6-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 57334384

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one?
The IUPAC name of 5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one (CID 57335445) is 5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one?
The canonical SMILES for 5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one is CSc1sc(-c2ccn[nH]2)c2c1C(=O)N(C)CC2.
What is the InChIKey of 5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one?
The InChIKey is VRWNPAJPJVSUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-15-6-4-7-9(11(15)16)12(17-2)18-10(7)8-3-5-13-14-8/h3,5H,4,6H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one?
5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one has a molecular weight of 279.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one is sourced from PubChem (CID 57335445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).