2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one

C17H14N4O2 — CID 134508221

IUPAC2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
SMILESCOc1cccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)c1
InChIInChI=1S/C17H14N4O2/c1-10-6-15-13(8-18-10)16-14(9-19-15)17(22)21(20-16)11-4-3-5-12(7-11)23-2/h3-9,20H,1-2H3
InChIKeyRIJIHHUJTKDRBT-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.58
Rot. Bonds2

About 2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one

2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one (PubChem CID 134508221) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
PubChem CID134508221
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
SMILESCOc1cccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)c1
InChIInChI=1S/C17H14N4O2/c1-10-6-15-13(8-18-10)16-14(9-19-15)17(22)21(20-16)11-4-3-5-12(7-11)23-2/h3-9,20H,1-2H3
InChIKeyRIJIHHUJTKDRBT-UHFFFAOYSA-N
XLogP2.58
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 54513102
8-bromo-6-fluoro-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 140870911
2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
CID 18329950
ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
CID 143937149
8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508258
5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
CID 114798023
2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
CID 54414073
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
CID 54063244
7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508199
5-ethyl-2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-4-carboxylic acid
CID 117123980
6-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)-2H-pyrazolo[4,3-c]pyridin-3-one
CID 164548836
8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 58189291

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The IUPAC name of 2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one (CID 134508221) is 2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The canonical SMILES for 2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one is COc1cccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The InChIKey is RIJIHHUJTKDRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-10-6-15-13(8-18-10)16-14(9-19-15)17(22)21(20-16)11-4-3-5-12(7-11)23-2/h3-9,20H,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one has a molecular weight of 306.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one is sourced from PubChem (CID 134508221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).