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

C11H11N3OS2 — CID 57334382

IUPAC3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
SMILESCSc1sc(-c2ccn[nH]2)c2c1C(=O)NCC2
InChIInChI=1S/C11H11N3OS2/c1-16-11-8-6(2-4-12-10(8)15)9(17-11)7-3-5-13-14-7/h3,5H,2,4H2,1H3,(H,12,15)(H,13,14)
InChIKeyALRZFNMVVZQJKX-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.15
Rot. Bonds2

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

3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one (PubChem CID 57334382) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
PubChem CID57334382
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
SMILESCSc1sc(-c2ccn[nH]2)c2c1C(=O)NCC2
InChIInChI=1S/C11H11N3OS2/c1-16-11-8-6(2-4-12-10(8)15)9(17-11)7-3-5-13-14-7/h3,5H,2,4H2,1H3,(H,12,15)(H,13,14)
InChIKeyALRZFNMVVZQJKX-UHFFFAOYSA-N
XLogP2.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The IUPAC name of 3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one (CID 57334382) is 3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one.
What is the SMILES notation for 3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The canonical SMILES for 3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one is CSc1sc(-c2ccn[nH]2)c2c1C(=O)NCC2.
What is the InChIKey of 3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The InChIKey is ALRZFNMVVZQJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-16-11-8-6(2-4-12-10(8)15)9(17-11)7-3-5-13-14-7/h3,5H,2,4H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one has a molecular weight of 265.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one is sourced from PubChem (CID 57334382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).