6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one

C15H9F2N3O2 — CID 58810001

IUPAC6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one
SMILESCc1[nH][nH]c2nc(-c3ccco3)c3c(F)cc(=O)c(F)c3c12
InChIInChI=1S/C15H9F2N3O2/c1-6-10-12-11(7(16)5-8(21)13(12)17)14(9-3-2-4-22-9)18-15(10)20-19-6/h2-5H,1H3,(H2,18,19,20)
InChIKeyFNGVLGNYRGDGHR-UHFFFAOYSA-N
MW301.25 g/mol
LogP3.25
Rot. Bonds1

About 6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one

6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one (PubChem CID 58810001) has the molecular formula C15H9F2N3O2 and a molecular weight of 301.25 g/mol. Its IUPAC name is 6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one.

Molecular Properties

Compound Name6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one
PubChem CID58810001
Molecular FormulaC15H9F2N3O2
Molecular Weight301.25 g/mol
Exact Mass301.07
IUPAC Name6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one
SMILESCc1[nH][nH]c2nc(-c3ccco3)c3c(F)cc(=O)c(F)c3c12
InChIInChI=1S/C15H9F2N3O2/c1-6-10-12-11(7(16)5-8(21)13(12)17)14(9-3-2-4-22-9)18-15(10)20-19-6/h2-5H,1H3,(H2,18,19,20)
InChIKeyFNGVLGNYRGDGHR-UHFFFAOYSA-N
XLogP3.25
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one?
The IUPAC name of 6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one (CID 58810001) is 6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one.
What is the SMILES notation for 6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one?
The canonical SMILES for 6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one is Cc1[nH][nH]c2nc(-c3ccco3)c3c(F)cc(=O)c(F)c3c12.
What is the InChIKey of 6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one?
The InChIKey is FNGVLGNYRGDGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O2/c1-6-10-12-11(7(16)5-8(21)13(12)17)14(9-3-2-4-22-9)18-15(10)20-19-6/h2-5H,1H3,(H2,18,19,20).
What are the key properties of 6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one?
6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one has a molecular weight of 301.25 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-difluoro-5-(furan-2-yl)-1-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one is sourced from PubChem (CID 58810001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).