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

C19H15F2N3O2S — CID 24954153

IUPAC5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(-c2cc3nc(CSc4cccc(F)c4F)cc(=O)n3[nH]2)c(C)o1
InChIInChI=1S/C19H15F2N3O2S/c1-10-6-13(11(2)26-10)15-8-17-22-12(7-18(25)24(17)23-15)9-27-16-5-3-4-14(20)19(16)21/h3-8,23H,9H2,1-2H3
InChIKeyRGWFJHJRNSYWMI-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.47
Rot. Bonds4

About 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-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 (PubChem CID 24954153) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID24954153
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(-c2cc3nc(CSc4cccc(F)c4F)cc(=O)n3[nH]2)c(C)o1
InChIInChI=1S/C19H15F2N3O2S/c1-10-6-13(11(2)26-10)15-8-17-22-12(7-18(25)24(17)23-15)9-27-16-5-3-4-14(20)19(16)21/h3-8,23H,9H2,1-2H3
InChIKeyRGWFJHJRNSYWMI-UHFFFAOYSA-N
XLogP4.47
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.47
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-benzyl-5-[(2,5-dimethylfuran-3-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 24960030
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-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24953817
2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24954519
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24954520
2-(5-tert-butyl-2-methylfuran-3-yl)-5-[(2,3-difluorophenyl)-sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 87511958
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
5-(2-Methylfuran-3-yl)-11-[(4-methylsulfanylphenyl)methyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 92437608
2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98073620

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 24954153) is 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(-c2cc3nc(CSc4cccc(F)c4F)cc(=O)n3[nH]2)c(C)o1.
What is the InChIKey of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RGWFJHJRNSYWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c1-10-6-13(11(2)26-10)15-8-17-22-12(7-18(25)24(17)23-15)9-27-16-5-3-4-14(20)19(16)21/h3-8,23H,9H2,1-2H3.
What are the key properties of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-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 has a molecular weight of 387.41 g/mol, XLogP of 4.47, 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-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 24954153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).