ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

C17H16N4O4 — CID 10427348

IUPACethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(C(=O)Cc3ccccc3)[nH]c2nc1N
InChIInChI=1S/C17H16N4O4/c1-2-25-17(24)11-9-12-15(19-14(11)18)20-21(16(12)23)13(22)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H3,18,19,20)
InChIKeyWVGHHEUGEIFUEG-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.37
Rot. Bonds4

About ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10427348) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10427348
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Nameethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(C(=O)Cc3ccccc3)[nH]c2nc1N
InChIInChI=1S/C17H16N4O4/c1-2-25-17(24)11-9-12-15(19-14(11)18)20-21(16(12)23)13(22)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H3,18,19,20)
InChIKeyWVGHHEUGEIFUEG-UHFFFAOYSA-N
XLogP1.37
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71608505
2-aminoquinoline-3-carboxylic acid;ethyl 2-aminoquinoline-3-carboxylate
CID 161289500
ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
CID 14666346
ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 2-phenylacetate
CID 7590
ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 639609
ethyl 6-amino-3-[(3-carbamoylbenzoyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 57385640
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 154730490
ethyl 4-amino-2-(2-phenylethylsulfanyl)pyrimidine-5-carboxylate
CID 864377
ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CID 10427348) is ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cc2c(=O)n(C(=O)Cc3ccccc3)[nH]c2nc1N.
What is the InChIKey of ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is WVGHHEUGEIFUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-2-25-17(24)11-9-12-15(19-14(11)18)20-21(16(12)23)13(22)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H3,18,19,20).
What are the key properties of ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-3-oxo-2-(2-phenylacetyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10427348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).