3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

C22H15N5O3 — CID 67395805

IUPAC3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccccc3[N+](=O)[O-])[nH]nc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C22H15N5O3/c28-22-19-17(13-14-7-4-5-11-18(14)27(29)30)24-25-20(19)16-10-6-12-23-21(16)26(22)15-8-2-1-3-9-15/h1-12H,13H2,(H,24,25)
InChIKeyBFEHBIXKDYTLDR-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.76
Rot. Bonds4

About 3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (PubChem CID 67395805) has the molecular formula C22H15N5O3 and a molecular weight of 397.39 g/mol. Its IUPAC name is 3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
PubChem CID67395805
Molecular FormulaC22H15N5O3
Molecular Weight397.39 g/mol
Exact Mass397.12
IUPAC Name3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccccc3[N+](=O)[O-])[nH]nc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C22H15N5O3/c28-22-19-17(13-14-7-4-5-11-18(14)27(29)30)24-25-20(19)16-10-6-12-23-21(16)26(22)15-8-2-1-3-9-15/h1-12H,13H2,(H,24,25)
InChIKeyBFEHBIXKDYTLDR-UHFFFAOYSA-N
XLogP3.76
TPSA106.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-nitrophenyl)methyl]-5-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 68950594
3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 67396078
3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 67396561
3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 86630445
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
4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one
CID 15665361
3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one
CID 68946444
5-phenyl-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione
CID 19436949
3-[(2-nitrophenyl)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135667644
5-[(2-nitrophenyl)methyl]-3-phenyl-1H-1,2,4-triazin-6-one
CID 11500517
5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole
CID 23317335
1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one
CID 19102732

Frequently Asked Questions

What is the IUPAC name of 3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (CID 67395805) is 3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is O=c1c2c(Cc3ccccc3[N+](=O)[O-])[nH]nc2c2cccnc2n1-c1ccccc1.
What is the InChIKey of 3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The InChIKey is BFEHBIXKDYTLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O3/c28-22-19-17(13-14-7-4-5-11-18(14)27(29)30)24-25-20(19)16-10-6-12-23-21(16)26(22)15-8-2-1-3-9-15/h1-12H,13H2,(H,24,25).
What are the key properties of 3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one has a molecular weight of 397.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 67395805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).