5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid

C19H14N4O2 — CID 59188074

IUPAC5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid
SMILESCc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(=O)O)c3)cc12
InChIInChI=1S/C19H14N4O2/c1-11-4-2-3-5-15(11)17-16-7-13(10-21-18(16)23-22-17)12-6-14(19(24)25)9-20-8-12/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyKYXQMRFNECEVFB-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.69
Rot. Bonds3

About 5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid

5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid (PubChem CID 59188074) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid
PubChem CID59188074
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid
SMILESCc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(=O)O)c3)cc12
InChIInChI=1S/C19H14N4O2/c1-11-4-2-3-5-15(11)17-16-7-13(10-21-18(16)23-22-17)12-6-14(19(24)25)9-20-8-12/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyKYXQMRFNECEVFB-UHFFFAOYSA-N
XLogP3.69
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid (CID 59188074) is 5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid is Cc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(=O)O)c3)cc12.
What is the InChIKey of 5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid?
The InChIKey is KYXQMRFNECEVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-11-4-2-3-5-15(11)17-16-7-13(10-21-18(16)23-22-17)12-6-14(19(24)25)9-20-8-12/h2-10H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid?
5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid has a molecular weight of 330.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59188074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).