3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

C8H6N4O3 — CID 125497646

IUPAC3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESNC(=O)c1[nH]nc2ncc(C(=O)O)cc12
InChIInChI=1S/C8H6N4O3/c9-6(13)5-4-1-3(8(14)15)2-10-7(4)12-11-5/h1-2H,(H2,9,13)(H,14,15)(H,10,11,12)
InChIKeyPAQDJHNWHCNZJK-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.25
Rot. Bonds2

About 3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 125497646) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID125497646
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESNC(=O)c1[nH]nc2ncc(C(=O)O)cc12
InChIInChI=1S/C8H6N4O3/c9-6(13)5-4-1-3(8(14)15)2-10-7(4)12-11-5/h1-2H,(H2,9,13)(H,14,15)(H,10,11,12)
InChIKeyPAQDJHNWHCNZJK-UHFFFAOYSA-N
XLogP-0.25
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83881393
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820572
5-amino-6-cyanopyridine-3-carboxylic acid
CID 130777741
4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid
CID 163383500
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
quinoline-3,5,6,7,8-pentacarboxylic acid
CID 22158723
5-[(2E)-penta-2,4-dien-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 129074750
(3R,4R)-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 166254692
3-methyl-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 84717839
5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 170781528
ethane;3-[(3E)-hexa-1,3,5-trien-3-yl]-2H-pyrazolo[3,4-b]pyridin-5-amine
CID 143860341
1-(4-carbamoylphenyl)-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrole-3-carboxylic acid
CID 69480515

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 125497646) is 3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is NC(=O)c1[nH]nc2ncc(C(=O)O)cc12.
What is the InChIKey of 3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is PAQDJHNWHCNZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-6(13)5-4-1-3(8(14)15)2-10-7(4)12-11-5/h1-2H,(H2,9,13)(H,14,15)(H,10,11,12).
What are the key properties of 3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 206.16 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 125497646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).