2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide

C22H19N5O4 — CID 9147333

IUPAC2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C22H19N5O4/c1-14-11-20(29)25(13-19(28)23-16-7-6-10-18(12-16)27(30)31)22-21(14)15(2)24-26(22)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3,(H,23,28)
InChIKeyDNVGLCYUUOQMLM-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.35
Rot. Bonds5

About 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide

2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 9147333) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
PubChem CID9147333
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC Name2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C22H19N5O4/c1-14-11-20(29)25(13-19(28)23-16-7-6-10-18(12-16)27(30)31)22-21(14)15(2)24-26(22)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3,(H,23,28)
InChIKeyDNVGLCYUUOQMLM-UHFFFAOYSA-N
XLogP3.35
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575759
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide
CID 39768144
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
N-(4-acetylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306760
N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306737
3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86261897
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 20944116
2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(3-methoxyphenyl)acetamide
CID 22575889
2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
CID 22575760
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide
CID 46306734
N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944208
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719346

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide (CID 9147333) is 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide is Cc1cc(=O)n(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2c1c(C)nn2-c1ccccc1.
What is the InChIKey of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is DNVGLCYUUOQMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-14-11-20(29)25(13-19(28)23-16-7-6-10-18(12-16)27(30)31)22-21(14)15(2)24-26(22)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3,(H,23,28).
What are the key properties of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide?
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide has a molecular weight of 417.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 9147333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).