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

C17H15N3OS2 — CID 57335590

IUPAC3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one
SMILESCSc1sc(-c2ccn[nH]2)c2c1C(=O)N(c1ccccc1)CC2
InChIInChI=1S/C17H15N3OS2/c1-22-17-14-12(15(23-17)13-7-9-18-19-13)8-10-20(16(14)21)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyCZQPNAAIRYFCKG-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.06
Rot. Bonds3

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

3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one (PubChem CID 57335590) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one
PubChem CID57335590
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one
SMILESCSc1sc(-c2ccn[nH]2)c2c1C(=O)N(c1ccccc1)CC2
InChIInChI=1S/C17H15N3OS2/c1-22-17-14-12(15(23-17)13-7-9-18-19-13)8-10-20(16(14)21)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyCZQPNAAIRYFCKG-UHFFFAOYSA-N
XLogP4.06
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one?
The IUPAC name of 3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one (CID 57335590) is 3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one.
What is the SMILES notation for 3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one?
The canonical SMILES for 3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one is CSc1sc(-c2ccn[nH]2)c2c1C(=O)N(c1ccccc1)CC2.
What is the InChIKey of 3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one?
The InChIKey is CZQPNAAIRYFCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-22-17-14-12(15(23-17)13-7-9-18-19-13)8-10-20(16(14)21)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3,(H,18,19).
What are the key properties of 3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one?
3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one has a molecular weight of 341.46 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-phenyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one is sourced from PubChem (CID 57335590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).