N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C20H16N6O4 — CID 24565430

IUPACN-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCN(C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H16N6O4/c1-23(14-7-9-16(10-8-14)26(29)30)18(27)12-24-13-21-19-17(20(24)28)11-22-25(19)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3
InChIKeyHPEWXYDPKPKVCF-UHFFFAOYSA-N
MW404.39 g/mol
LogP2.15
Rot. Bonds5

About N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 24565430) has the molecular formula C20H16N6O4 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID24565430
Molecular FormulaC20H16N6O4
Molecular Weight404.39 g/mol
Exact Mass404.12
IUPAC NameN-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCN(C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H16N6O4/c1-23(14-7-9-16(10-8-14)26(29)30)18(27)12-24-13-21-19-17(20(24)28)11-22-25(19)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3
InChIKeyHPEWXYDPKPKVCF-UHFFFAOYSA-N
XLogP2.15
TPSA116.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 24565430) is N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is CN(C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is HPEWXYDPKPKVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O4/c1-23(14-7-9-16(10-8-14)26(29)30)18(27)12-24-13-21-19-17(20(24)28)11-22-25(19)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3.
What are the key properties of N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 404.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 24565430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).