3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione

C13H11N5O3 — CID 91612887

IUPAC3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione
SMILESCON=C1C(=O)NC(=O)c2c1nn(-c1ccccc1)c2N
InChIInChI=1S/C13H11N5O3/c1-21-17-10-9-8(12(19)15-13(10)20)11(14)18(16-9)7-5-3-2-4-6-7/h2-6H,14H2,1H3,(H,15,19,20)
InChIKeyLUDWLNDWJGCKTH-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.08
Rot. Bonds2

About 3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione

3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione (PubChem CID 91612887) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione.

Molecular Properties

Compound Name3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione
PubChem CID91612887
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione
SMILESCON=C1C(=O)NC(=O)c2c1nn(-c1ccccc1)c2N
InChIInChI=1S/C13H11N5O3/c1-21-17-10-9-8(12(19)15-13(10)20)11(14)18(16-9)7-5-3-2-4-6-7/h2-6H,14H2,1H3,(H,15,19,20)
InChIKeyLUDWLNDWJGCKTH-UHFFFAOYSA-N
XLogP0.08
TPSA111.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
CID 555805
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine
CID 17381507
5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide
CID 16784714
5-methoxy-2-phenyl-1,2,4-triazol-3-amine
CID 79873453
3-(5-amino-4-ethyl-1-phenylpyrazol-3-yl)-1H-pyridin-4-one
CID 136812338
(5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135867755
3-amino-2-phenyl-4H-pyrazolo[4,3-b]pyridin-5-one
CID 144934394
methyl 4-oxo-1-phenyl-5,6,7,8-tetrahydrocyclohepta[c]pyrazole-3-carboxylate
CID 56589821
4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
CID 145013429
3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine
CID 43336800
4-ethyl-1-phenyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552617

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione?
The IUPAC name of 3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione (CID 91612887) is 3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione.
What is the SMILES notation for 3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione?
The canonical SMILES for 3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione is CON=C1C(=O)NC(=O)c2c1nn(-c1ccccc1)c2N.
What is the InChIKey of 3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione?
The InChIKey is LUDWLNDWJGCKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-21-17-10-9-8(12(19)15-13(10)20)11(14)18(16-9)7-5-3-2-4-6-7/h2-6H,14H2,1H3,(H,15,19,20).
What are the key properties of 3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione?
3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione has a molecular weight of 285.26 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione is sourced from PubChem (CID 91612887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).