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

C13H15N3OS2 — CID 57334992

IUPAC3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
SMILESCCCSc1sc(-c2ccn[nH]2)c2c1C(=O)NCC2
InChIInChI=1S/C13H15N3OS2/c1-2-7-18-13-10-8(3-5-14-12(10)17)11(19-13)9-4-6-15-16-9/h4,6H,2-3,5,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyBLHSTEPXWNDJNI-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.93
Rot. Bonds4

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

3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one (PubChem CID 57334992) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
PubChem CID57334992
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
SMILESCCCSc1sc(-c2ccn[nH]2)c2c1C(=O)NCC2
InChIInChI=1S/C13H15N3OS2/c1-2-7-18-13-10-8(3-5-14-12(10)17)11(19-13)9-4-6-15-16-9/h4,6H,2-3,5,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyBLHSTEPXWNDJNI-UHFFFAOYSA-N
XLogP2.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The IUPAC name of 3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one (CID 57334992) is 3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one.
What is the SMILES notation for 3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The canonical SMILES for 3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one is CCCSc1sc(-c2ccn[nH]2)c2c1C(=O)NCC2.
What is the InChIKey of 3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The InChIKey is BLHSTEPXWNDJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-2-7-18-13-10-8(3-5-14-12(10)17)11(19-13)9-4-6-15-16-9/h4,6H,2-3,5,7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one has a molecular weight of 293.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one is sourced from PubChem (CID 57334992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).