6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C18H12ClN5O2 — CID 71600939

IUPAC6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)nc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C18H12ClN5O2/c19-16-2-1-12(8-21-16)15-7-13(18(25)26)14-9-22-24(17(14)23-15)10-11-3-5-20-6-4-11/h1-9H,10H2,(H,25,26)
InChIKeyVEJQOFSGZVTJOD-UHFFFAOYSA-N
MW365.78 g/mol
LogP3.29
Rot. Bonds4

About 6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600939) has the molecular formula C18H12ClN5O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is 6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600939
Molecular FormulaC18H12ClN5O2
Molecular Weight365.78 g/mol
Exact Mass365.07
IUPAC Name6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)nc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C18H12ClN5O2/c19-16-2-1-12(8-21-16)15-7-13(18(25)26)14-9-22-24(17(14)23-15)10-11-3-5-20-6-4-11/h1-9H,10H2,(H,25,26)
InChIKeyVEJQOFSGZVTJOD-UHFFFAOYSA-N
XLogP3.29
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2525992
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
1-(4-Chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 129147662
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
3-(1-p-Tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid
CID 721046
5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-2-yl-1H-pyrazole-3-carboxylic acid
CID 10250987
4-[(3-Chloro-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid
CID 44448342
6-[(6-Chloro-2-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151421
6-[[6-Chloro-2-(morpholin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704880
1,6-diisopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2466731
2-[(E)-2-(6-chloro-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-4-carboxylic acid
CID 121596879
2-[(E)-2-(6-chloro-8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-3-carboxylic acid
CID 121596882

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600939) is 6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)nc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is VEJQOFSGZVTJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2/c19-16-2-1-12(8-21-16)15-7-13(18(25)26)14-9-22-24(17(14)23-15)10-11-3-5-20-6-4-11/h1-9H,10H2,(H,25,26).
What are the key properties of 6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 365.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).