1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

C23H20FN5O3 — CID 126743247

IUPAC1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccnc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C23H20FN5O3/c1-14-21-18(15-2-4-16(5-3-15)28-8-10-32-11-9-28)13-19(23(30)31)26-22(21)29(27-14)17-6-7-25-20(24)12-17/h2-7,12-13H,8-11H2,1H3,(H,30,31)
InChIKeySAINUTRWHCOJEB-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.46
Rot. Bonds4

About 1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743247) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743247
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccnc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C23H20FN5O3/c1-14-21-18(15-2-4-16(5-3-15)28-8-10-32-11-9-28)13-19(23(30)31)26-22(21)29(27-14)17-6-7-25-20(24)12-17/h2-7,12-13H,8-11H2,1H3,(H,30,31)
InChIKeySAINUTRWHCOJEB-UHFFFAOYSA-N
XLogP3.46
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.46
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 1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743247) is 1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(-c2ccnc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is SAINUTRWHCOJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-14-21-18(15-2-4-16(5-3-15)28-8-10-32-11-9-28)13-19(23(30)31)26-22(21)29(27-14)17-6-7-25-20(24)12-17/h2-7,12-13H,8-11H2,1H3,(H,30,31).
What are the key properties of 1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 433.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-pyridinyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).