5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H11F2N3O2S — CID 24953817

IUPAC5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccoc3)[nH]n12
InChIInChI=1S/C17H11F2N3O2S/c18-12-2-1-3-14(17(12)19)25-9-11-6-16(23)22-15(20-11)7-13(21-22)10-4-5-24-8-10/h1-8,21H,9H2
InChIKeyKBBDVSCGEOKZMO-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.85
Rot. Bonds4

About 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 24953817) has the molecular formula C17H11F2N3O2S and a molecular weight of 359.36 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID24953817
Molecular FormulaC17H11F2N3O2S
Molecular Weight359.36 g/mol
Exact Mass359.05
IUPAC Name5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccoc3)[nH]n12
InChIInChI=1S/C17H11F2N3O2S/c18-12-2-1-3-14(17(12)19)25-9-11-6-16(23)22-15(20-11)7-13(21-22)10-4-5-24-8-10/h1-8,21H,9H2
InChIKeyKBBDVSCGEOKZMO-UHFFFAOYSA-N
XLogP3.85
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24953463
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(3-methylfuran-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24953816
2-(5-tert-butyl-2-methylfuran-3-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24953466
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24954153
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24954520
2-cyclopentyl-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 159654658

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 24953817) is 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccoc3)[nH]n12.
What is the InChIKey of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KBBDVSCGEOKZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2S/c18-12-2-1-3-14(17(12)19)25-9-11-6-16(23)22-15(20-11)7-13(21-22)10-4-5-24-8-10/h1-8,21H,9H2.
What are the key properties of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 359.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 24953817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).