1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C10H11N3O2 — CID 58629427

IUPAC1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCn1ncc2c(C)c(C(=O)O)cnc21
InChIInChI=1S/C10H11N3O2/c1-3-13-9-7(5-12-13)6(2)8(4-11-9)10(14)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyWHDRYJPCMHNNHW-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.46
Rot. Bonds2

About 1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 58629427) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID58629427
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCn1ncc2c(C)c(C(=O)O)cnc21
InChIInChI=1S/C10H11N3O2/c1-3-13-9-7(5-12-13)6(2)8(4-11-9)10(14)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyWHDRYJPCMHNNHW-UHFFFAOYSA-N
XLogP1.46
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 163705631
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
4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 59975380
cyclopentanamine;1-(1-ethyl-4-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone;methane;phenylmethanamine
CID 158629251
1-[1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 118316977
1-ethyl-4-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 130494011
4-chloro-1-ethyl-5-methylpyrazolo[3,4-b]pyridine
CID 89190838
13-ethyl-8-(4-methylpiperazin-1-yl)-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,7,9,11,14-heptaene-5-carboxylic acid
CID 23331628
1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 102941807
N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 59854949
1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 21320510

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 58629427) is 1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is CCn1ncc2c(C)c(C(=O)O)cnc21.
What is the InChIKey of 1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is WHDRYJPCMHNNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-3-13-9-7(5-12-13)6(2)8(4-11-9)10(14)15/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 58629427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).