6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one

C15H9F2N3O2 — CID 68951402

IUPAC6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one
SMILESCc1c(F)c2c(-c3ccco3)nc3[nH][nH]cc3c2c(F)c1=O
InChIInChI=1S/C15H9F2N3O2/c1-6-11(16)10-9(12(17)14(6)21)7-5-18-20-15(7)19-13(10)8-3-2-4-22-8/h2-5H,1H3,(H2,18,19,20)
InChIKeyBQYBNBKLUGPFNH-UHFFFAOYSA-N
MW301.25 g/mol
LogP3.25
Rot. Bonds1

About 6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one

6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one (PubChem CID 68951402) 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)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one.

Molecular Properties

Compound Name6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one
PubChem CID68951402
Molecular FormulaC15H9F2N3O2
Molecular Weight301.25 g/mol
Exact Mass301.07
IUPAC Name6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one
SMILESCc1c(F)c2c(-c3ccco3)nc3[nH][nH]cc3c2c(F)c1=O
InChIInChI=1S/C15H9F2N3O2/c1-6-11(16)10-9(12(17)14(6)21)7-5-18-20-15(7)19-13(10)8-3-2-4-22-8/h2-5H,1H3,(H2,18,19,20)
InChIKeyBQYBNBKLUGPFNH-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)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one?
The IUPAC name of 6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one (CID 68951402) is 6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one.
What is the SMILES notation for 6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one?
The canonical SMILES for 6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one is Cc1c(F)c2c(-c3ccco3)nc3[nH][nH]cc3c2c(F)c1=O.
What is the InChIKey of 6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one?
The InChIKey is BQYBNBKLUGPFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O2/c1-6-11(16)10-9(12(17)14(6)21)7-5-18-20-15(7)19-13(10)8-3-2-4-22-8/h2-5H,1H3,(H2,18,19,20).
What are the key properties of 6,9-difluoro-5-(furan-2-yl)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one?
6,9-difluoro-5-(furan-2-yl)-7-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)-7-methyl-2,3-dihydropyrazolo[3,4-c]isoquinolin-8-one is sourced from PubChem (CID 68951402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).