3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one

C22H16N4O — CID 68946444

IUPAC3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccccc3)[nH]nc2c2ncccc2n1-c1ccccc1
InChIInChI=1S/C22H16N4O/c27-22-19-17(14-15-8-3-1-4-9-15)24-25-21(19)20-18(12-7-13-23-20)26(22)16-10-5-2-6-11-16/h1-13H,14H2,(H,24,25)
InChIKeyOFCIDUVQDJYZDX-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.85
Rot. Bonds3

About 3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one

3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one (PubChem CID 68946444) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one.

Molecular Properties

Compound Name3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one
PubChem CID68946444
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccccc3)[nH]nc2c2ncccc2n1-c1ccccc1
InChIInChI=1S/C22H16N4O/c27-22-19-17(14-15-8-3-1-4-9-15)24-25-21(19)20-18(12-7-13-23-20)26(22)16-10-5-2-6-11-16/h1-13H,14H2,(H,24,25)
InChIKeyOFCIDUVQDJYZDX-UHFFFAOYSA-N
XLogP3.85
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 67396561
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-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 67396078
3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 67395805
2-chloro-1-phenylpyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 87205998
3-benzyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 15832607
4-methyl-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58704078
3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one
CID 131848680
3,24-diphenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 122523763
3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 86630445
3-[(2-nitrophenyl)methyl]-5-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 68950594
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233408

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one?
The IUPAC name of 3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one (CID 68946444) is 3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one.
What is the SMILES notation for 3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one?
The canonical SMILES for 3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one is O=c1c2c(Cc3ccccc3)[nH]nc2c2ncccc2n1-c1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one?
The InChIKey is OFCIDUVQDJYZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-22-19-17(14-15-8-3-1-4-9-15)24-25-21(19)20-18(12-7-13-23-20)26(22)16-10-5-2-6-11-16/h1-13H,14H2,(H,24,25).
What are the key properties of 3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one?
3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one has a molecular weight of 352.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one is sourced from PubChem (CID 68946444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).