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

C17H14FN3OS2 — CID 69048861

IUPAC6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
SMILESCSc1sc(-c2ccn[nH]2)c2c1C(=O)NC(c1ccc(F)cc1)C2
InChIInChI=1S/C17H14FN3OS2/c1-23-17-14-11(15(24-17)12-6-7-19-21-12)8-13(20-16(14)22)9-2-4-10(18)5-3-9/h2-7,13H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyZQKVVTZRFVMFBL-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.03
Rot. Bonds3

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

6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one (PubChem CID 69048861) has the molecular formula C17H14FN3OS2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
PubChem CID69048861
Molecular FormulaC17H14FN3OS2
Molecular Weight359.45 g/mol
Exact Mass359.06
IUPAC Name6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
SMILESCSc1sc(-c2ccn[nH]2)c2c1C(=O)NC(c1ccc(F)cc1)C2
InChIInChI=1S/C17H14FN3OS2/c1-23-17-14-11(15(24-17)12-6-7-19-21-12)8-13(20-16(14)22)9-2-4-10(18)5-3-9/h2-7,13H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyZQKVVTZRFVMFBL-UHFFFAOYSA-N
XLogP4.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one (CID 69048861) is 6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-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)NC(c1ccc(F)cc1)C2.
What is the InChIKey of 6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The InChIKey is ZQKVVTZRFVMFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS2/c1-23-17-14-11(15(24-17)12-6-7-19-21-12)8-13(20-16(14)22)9-2-4-10(18)5-3-9/h2-7,13H,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one has a molecular weight of 359.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one is sourced from PubChem (CID 69048861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).