1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C11H13N3O2 — CID 90775639

IUPAC1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCc1nc2c(cnn2CC)cc1C(=O)O
InChIInChI=1S/C11H13N3O2/c1-3-9-8(11(15)16)5-7-6-12-14(4-2)10(7)13-9/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyJXSDYECLJKZMAO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.71
Rot. Bonds3

About 1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 90775639) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID90775639
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCc1nc2c(cnn2CC)cc1C(=O)O
InChIInChI=1S/C11H13N3O2/c1-3-9-8(11(15)16)5-7-6-12-14(4-2)10(7)13-9/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyJXSDYECLJKZMAO-UHFFFAOYSA-N
XLogP1.71
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590536
3-[2-[(1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 166422464
1-ethyl-4-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 58629427
1-ethyl-4-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 130494011
6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 43329016
2-ethyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116532966
6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 43329020
6-amino-2-ethylquinoline-3-carboxylic acid
CID 158317833
5-[(dimethylamino)methyl]-1-ethylpyrazole-4-carboxylic acid
CID 117217880
(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
CID 17457376
1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 163705631
1-ethyl-5-(ethylsulfanylmethyl)pyrazole-4-carboxylic acid
CID 117218023

Frequently Asked Questions

What is the IUPAC name of 1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 90775639) is 1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is CCc1nc2c(cnn2CC)cc1C(=O)O.
What is the InChIKey of 1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is JXSDYECLJKZMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-9-8(11(15)16)5-7-6-12-14(4-2)10(7)13-9/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 90775639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).