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

C24H20F2N4O3 — CID 126742490

IUPAC1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccc(F)c(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C24H20F2N4O3/c1-14-22-18(15-2-4-16(5-3-15)29-8-10-33-11-9-29)13-21(24(31)32)27-23(22)30(28-14)17-6-7-19(25)20(26)12-17/h2-7,12-13H,8-11H2,1H3,(H,31,32)
InChIKeyJXSVJHLWDYLWKT-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.21
Rot. Bonds4

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

1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742490) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742490
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccc(F)c(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C24H20F2N4O3/c1-14-22-18(15-2-4-16(5-3-15)29-8-10-33-11-9-29)13-21(24(31)32)27-23(22)30(28-14)17-6-7-19(25)20(26)12-17/h2-7,12-13H,8-11H2,1H3,(H,31,32)
InChIKeyJXSVJHLWDYLWKT-UHFFFAOYSA-N
XLogP4.21
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742490) is 1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(-c2ccc(F)c(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is JXSVJHLWDYLWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-14-22-18(15-2-4-16(5-3-15)29-8-10-33-11-9-29)13-21(24(31)32)27-23(22)30(28-14)17-6-7-19(25)20(26)12-17/h2-7,12-13H,8-11H2,1H3,(H,31,32).
What are the key properties of 1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 450.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).