3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid

C23H24FN3O4 — CID 140862942

IUPAC3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2c(c(OCC3CCOCC3)n1)c(C1CCC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O4/c24-16-4-6-17(7-5-16)27-19-12-18(23(28)29)25-22(31-13-14-8-10-30-11-9-14)20(19)21(26-27)15-2-1-3-15/h4-7,12,14-15H,1-3,8-11,13H2,(H,28,29)
InChIKeyKMZGXRSLNDXQRC-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.33
Rot. Bonds6

About 3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid

3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid (PubChem CID 140862942) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid
PubChem CID140862942
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2c(c(OCC3CCOCC3)n1)c(C1CCC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O4/c24-16-4-6-17(7-5-16)27-19-12-18(23(28)29)25-22(31-13-14-8-10-30-11-9-14)20(19)21(26-27)15-2-1-3-15/h4-7,12,14-15H,1-3,8-11,13H2,(H,28,29)
InChIKeyKMZGXRSLNDXQRC-UHFFFAOYSA-N
XLogP4.33
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclobutyl-1-(4-fluorophenyl)-4-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742585
1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742566
N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742680
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742570
3-cyclobutyl-1-(4-fluorophenyl)-4-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742859
3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742473
3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743060
3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742381
3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741465
5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 129024316
3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741619
3-cyclobutyl-1-(3-fluoro-4-methylphenyl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742814

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid?
The IUPAC name of 3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid (CID 140862942) is 3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid is O=C(O)c1cc2c(c(OCC3CCOCC3)n1)c(C1CCC1)nn2-c1ccc(F)cc1.
What is the InChIKey of 3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid?
The InChIKey is KMZGXRSLNDXQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c24-16-4-6-17(7-5-16)27-19-12-18(23(28)29)25-22(31-13-14-8-10-30-11-9-14)20(19)21(26-27)15-2-1-3-15/h4-7,12,14-15H,1-3,8-11,13H2,(H,28,29).
What are the key properties of 3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid?
3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid has a molecular weight of 425.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)pyrazolo[4,3-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 140862942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).