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

C17H10BrF2N3O2S — CID 24954519

IUPAC2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccc(Br)o3)[nH]n12
InChIInChI=1S/C17H10BrF2N3O2S/c18-14-5-4-12(25-14)11-7-15-21-9(6-16(24)23(15)22-11)8-26-13-3-1-2-10(19)17(13)20/h1-7,22H,8H2
InChIKeyULOHUAQFHWFZIC-UHFFFAOYSA-N
MW438.25 g/mol
LogP4.62
Rot. Bonds4

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

2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 24954519) has the molecular formula C17H10BrF2N3O2S and a molecular weight of 438.25 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID24954519
Molecular FormulaC17H10BrF2N3O2S
Molecular Weight438.25 g/mol
Exact Mass436.96
IUPAC Name2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccc(Br)o3)[nH]n12
InChIInChI=1S/C17H10BrF2N3O2S/c18-14-5-4-12(25-14)11-7-15-21-9(6-16(24)23(15)22-11)8-26-13-3-1-2-10(19)17(13)20/h1-7,22H,8H2
InChIKeyULOHUAQFHWFZIC-UHFFFAOYSA-N
XLogP4.62
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.25
LogP ≤ 54.62
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
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24954153
2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)-sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 87512460

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 24954519) is 2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccc(Br)o3)[nH]n12.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ULOHUAQFHWFZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF2N3O2S/c18-14-5-4-12(25-14)11-7-15-21-9(6-16(24)23(15)22-11)8-26-13-3-1-2-10(19)17(13)20/h1-7,22H,8H2.
What are the key properties of 2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 438.25 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 24954519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).