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

C23H15ClN6O2 — CID 71600940

IUPAC6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(Cl)nc3)nc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C23H15ClN6O2/c24-21-4-2-15(11-27-21)19-3-1-16(10-26-19)20-9-17(23(31)32)18-12-28-30(22(18)29-20)13-14-5-7-25-8-6-14/h1-12H,13H2,(H,31,32)
InChIKeyXRFIALMXAXPNOI-UHFFFAOYSA-N
MW442.87 g/mol
LogP4.35
Rot. Bonds5

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

6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600940) has the molecular formula C23H15ClN6O2 and a molecular weight of 442.87 g/mol. Its IUPAC name is 6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600940
Molecular FormulaC23H15ClN6O2
Molecular Weight442.87 g/mol
Exact Mass442.09
IUPAC Name6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(Cl)nc3)nc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C23H15ClN6O2/c24-21-4-2-15(11-27-21)19-3-1-16(10-26-19)20-9-17(23(31)32)18-12-28-30(22(18)29-20)13-14-5-7-25-8-6-14/h1-12H,13H2,(H,31,32)
InChIKeyXRFIALMXAXPNOI-UHFFFAOYSA-N
XLogP4.35
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600940) is 6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccc(Cl)nc3)nc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is XRFIALMXAXPNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN6O2/c24-21-4-2-15(11-27-21)19-3-1-16(10-26-19)20-9-17(23(31)32)18-12-28-30(22(18)29-20)13-14-5-7-25-8-6-14/h1-12H,13H2,(H,31,32).
What are the key properties of 6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 442.87 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).