3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

C22H15FN4O — CID 67396561

IUPAC3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccccc3)[nH]nc2c2cccnc2n1-c1cccc(F)c1
InChIInChI=1S/C22H15FN4O/c23-15-8-4-9-16(13-15)27-21-17(10-5-11-24-21)20-19(22(27)28)18(25-26-20)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,25,26)
InChIKeyIZBMLONVLRHYJS-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.99
Rot. Bonds3

About 3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (PubChem CID 67396561) has the molecular formula C22H15FN4O and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
PubChem CID67396561
Molecular FormulaC22H15FN4O
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC Name3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccccc3)[nH]nc2c2cccnc2n1-c1cccc(F)c1
InChIInChI=1S/C22H15FN4O/c23-15-8-4-9-16(13-15)27-21-17(10-5-11-24-21)20-19(22(27)28)18(25-26-20)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,25,26)
InChIKeyIZBMLONVLRHYJS-UHFFFAOYSA-N
XLogP3.99
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 67396078
3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 159373885
3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 67395805
3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 86630445
3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one
CID 68946444
3-[(2-nitrophenyl)methyl]-5-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 68950594
N-benzyl-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727044
1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 141214765
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727105
5-phenyl-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione
CID 19436949
1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one
CID 19102732
2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 22723985

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (CID 67396561) is 3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is O=c1c2c(Cc3ccccc3)[nH]nc2c2cccnc2n1-c1cccc(F)c1.
What is the InChIKey of 3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The InChIKey is IZBMLONVLRHYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O/c23-15-8-4-9-16(13-15)27-21-17(10-5-11-24-21)20-19(22(27)28)18(25-26-20)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,25,26).
What are the key properties of 3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one has a molecular weight of 370.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 67396561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).