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

C12H15N3O2 — CID 14590536

IUPACethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2cnn(CC)c2nc1C
InChIInChI=1S/C12H15N3O2/c1-4-15-11-9(7-13-15)6-10(8(3)14-11)12(16)17-5-2/h6-7H,4-5H2,1-3H3
InChIKeyNIRGWFNHYQXFSW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.94
Rot. Bonds3

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

ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 14590536) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID14590536
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nameethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2cnn(CC)c2nc1C
InChIInChI=1S/C12H15N3O2/c1-4-15-11-9(7-13-15)6-10(8(3)14-11)12(16)17-5-2/h6-7H,4-5H2,1-3H3
InChIKeyNIRGWFNHYQXFSW-UHFFFAOYSA-N
XLogP1.94
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10083347
1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 90775639
3-[2-[(1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 166422464
1-ethyl-N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 124887184
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
sodium;diethyl 1-ethylpyrazole-4,5-dicarboxylate;ethanolate
CID 159056664
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
2-(1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 167791761
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55473328
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494463

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 14590536) is ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cc2cnn(CC)c2nc1C.
What is the InChIKey of ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is NIRGWFNHYQXFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-15-11-9(7-13-15)6-10(8(3)14-11)12(16)17-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 14590536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).