2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

C15H15F3N4OS — CID 118517974

IUPAC2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2cn(-c3cccnc3)nc2CCN1CSCCC(F)(F)F
InChIInChI=1S/C15H15F3N4OS/c16-15(17,18)4-7-24-10-21-6-3-13-12(14(21)23)9-22(20-13)11-2-1-5-19-8-11/h1-2,5,8-9H,3-4,6-7,10H2
InChIKeyLBOSKGVCVFUTRM-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.91
Rot. Bonds5

About 2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 118517974) has the molecular formula C15H15F3N4OS and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID118517974
Molecular FormulaC15H15F3N4OS
Molecular Weight356.37 g/mol
Exact Mass356.09
IUPAC Name2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2cn(-c3cccnc3)nc2CCN1CSCCC(F)(F)F
InChIInChI=1S/C15H15F3N4OS/c16-15(17,18)4-7-24-10-21-6-3-13-12(14(21)23)9-22(20-13)11-2-1-5-19-8-11/h1-2,5,8-9H,3-4,6-7,10H2
InChIKeyLBOSKGVCVFUTRM-UHFFFAOYSA-N
XLogP2.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 118517974) is 2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is O=C1c2cn(-c3cccnc3)nc2CCN1CSCCC(F)(F)F.
What is the InChIKey of 2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is LBOSKGVCVFUTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4OS/c16-15(17,18)4-7-24-10-21-6-3-13-12(14(21)23)9-22(20-13)11-2-1-5-19-8-11/h1-2,5,8-9H,3-4,6-7,10H2.
What are the key properties of 2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 356.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 118517974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).