ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate

C12H16N4O2 — CID 10083347

IUPACethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(cnn2CC)c1N
InChIInChI=1S/C12H16N4O2/c1-4-16-11-8(6-14-16)10(13)9(7(3)15-11)12(17)18-5-2/h6H,4-5H2,1-3H3,(H2,13,15)
InChIKeyNHVOEQJTKXYLBB-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.52
Rot. Bonds3

About ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10083347) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10083347
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nameethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(cnn2CC)c1N
InChIInChI=1S/C12H16N4O2/c1-4-16-11-8(6-14-16)10(13)9(7(3)15-11)12(17)18-5-2/h6H,4-5H2,1-3H3,(H2,13,15)
InChIKeyNHVOEQJTKXYLBB-UHFFFAOYSA-N
XLogP1.52
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
CID 70481084
ethyl 4-amino-6-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590525
prop-2-enyl 4-amino-6-methyl-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 10357563
methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 127243781
ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590536
[(E)-3-phenylprop-2-enyl] 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 70481088
ethyl 4-ethoxy-1-(3-ethoxypropyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 54106645
ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 69183938
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
ethyl 4-amino-1-[(3,4-difluorophenyl)methyl]-6-methylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 71209202
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 69182929

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 10083347) is ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(C)nc2c(cnn2CC)c1N.
What is the InChIKey of ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is NHVOEQJTKXYLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-16-11-8(6-14-16)10(13)9(7(3)15-11)12(17)18-5-2/h6H,4-5H2,1-3H3,(H2,13,15).
What are the key properties of ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 248.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10083347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).