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

C24H21FN4O3 — CID 126742312

IUPAC1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2cccc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C24H21FN4O3/c1-15-22-20(16-5-7-18(8-6-16)28-9-11-32-12-10-28)14-21(24(30)31)26-23(22)29(27-15)19-4-2-3-17(25)13-19/h2-8,13-14H,9-12H2,1H3,(H,30,31)
InChIKeyUISFEXGUNPBLQS-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.07
Rot. Bonds4

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

1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742312) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742312
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2cccc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C24H21FN4O3/c1-15-22-20(16-5-7-18(8-6-16)28-9-11-32-12-10-28)14-21(24(30)31)26-23(22)29(27-15)19-4-2-3-17(25)13-19/h2-8,13-14H,9-12H2,1H3,(H,30,31)
InChIKeyUISFEXGUNPBLQS-UHFFFAOYSA-N
XLogP4.07
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742312) is 1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(-c2cccc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is UISFEXGUNPBLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-15-22-20(16-5-7-18(8-6-16)28-9-11-32-12-10-28)14-21(24(30)31)26-23(22)29(27-15)19-4-2-3-17(25)13-19/h2-8,13-14H,9-12H2,1H3,(H,30,31).
What are the key properties of 1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 432.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).