4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C14H20N4O3 — CID 114942706

IUPAC4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCOC(C)(C)CNc1c(C(=O)O)cnc2c1cnn2C
InChIInChI=1S/C14H20N4O3/c1-5-21-14(2,3)8-16-11-9-7-17-18(4)12(9)15-6-10(11)13(19)20/h6-7H,5,8H2,1-4H3,(H,15,16)(H,19,20)
InChIKeySTEJIZLXJPIWGD-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.89
Rot. Bonds6

About 4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 114942706) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID114942706
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCOC(C)(C)CNc1c(C(=O)O)cnc2c1cnn2C
InChIInChI=1S/C14H20N4O3/c1-5-21-14(2,3)8-16-11-9-7-17-18(4)12(9)15-6-10(11)13(19)20/h6-7H,5,8H2,1-4H3,(H,15,16)(H,19,20)
InChIKeySTEJIZLXJPIWGD-UHFFFAOYSA-N
XLogP1.89
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 103462079
4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114942705
4-(2,2-dimethylpropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937569
ethyl 1-methyl-4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133475737
1-methyl-4-(2-methylbutylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107747320
1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 123677615
1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid;(2S)-3-methylbutan-2-amine
CID 69221780
1-ethyl-4-[[(2R)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid;(2R)-3-methylbutan-2-amine
CID 69221425
1-methyl-4-(3-methylbutan-2-ylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107747253
1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937444
1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid
CID 116629642
4-(butylamino)-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 57447641

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 114942706) is 4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is CCOC(C)(C)CNc1c(C(=O)O)cnc2c1cnn2C.
What is the InChIKey of 4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is STEJIZLXJPIWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-5-21-14(2,3)8-16-11-9-7-17-18(4)12(9)15-6-10(11)13(19)20/h6-7H,5,8H2,1-4H3,(H,15,16)(H,19,20).
What are the key properties of 4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 114942706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).