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

C18H12F2N4OS — CID 24953110

IUPAC5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccccn3)[nH]n12
InChIInChI=1S/C18H12F2N4OS/c19-12-4-3-6-15(18(12)20)26-10-11-8-17(25)24-16(22-11)9-14(23-24)13-5-1-2-7-21-13/h1-9,23H,10H2
InChIKeyIBTFRSWPWKNNHS-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.66
Rot. Bonds4

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

5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 24953110) has the molecular formula C18H12F2N4OS and a molecular weight of 370.38 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID24953110
Molecular FormulaC18H12F2N4OS
Molecular Weight370.38 g/mol
Exact Mass370.07
IUPAC Name5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccccn3)[nH]n12
InChIInChI=1S/C18H12F2N4OS/c19-12-4-3-6-15(18(12)20)26-10-11-8-17(25)24-16(22-11)9-14(23-24)13-5-1-2-7-21-13/h1-9,23H,10H2
InChIKeyIBTFRSWPWKNNHS-UHFFFAOYSA-N
XLogP3.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 24953110) is 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccccn3)[nH]n12.
What is the InChIKey of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IBTFRSWPWKNNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4OS/c19-12-4-3-6-15(18(12)20)26-10-11-8-17(25)24-16(22-11)9-14(23-24)13-5-1-2-7-21-13/h1-9,23H,10H2.
What are the key properties of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 370.38 g/mol, XLogP of 3.66, 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-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 24953110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).