5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

C23H26FN3O4S — CID 140772095

IUPAC5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC(C)CCCNS(=O)(=O)c1cn2nc(-c3ccc(F)cc3)c(C(=O)O)c2cc1C1CC1
InChIInChI=1S/C23H26FN3O4S/c1-14(2)4-3-11-25-32(30,31)20-13-27-19(12-18(20)15-5-6-15)21(23(28)29)22(26-27)16-7-9-17(24)10-8-16/h7-10,12-15,25H,3-6,11H2,1-2H3,(H,28,29)
InChIKeyNPGAANIGVWINFI-UHFFFAOYSA-N
MW459.54 g/mol
LogP4.43
Rot. Bonds9

About 5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 140772095) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID140772095
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC(C)CCCNS(=O)(=O)c1cn2nc(-c3ccc(F)cc3)c(C(=O)O)c2cc1C1CC1
InChIInChI=1S/C23H26FN3O4S/c1-14(2)4-3-11-25-32(30,31)20-13-27-19(12-18(20)15-5-6-15)21(23(28)29)22(26-27)16-7-9-17(24)10-8-16/h7-10,12-15,25H,3-6,11H2,1-2H3,(H,28,29)
InChIKeyNPGAANIGVWINFI-UHFFFAOYSA-N
XLogP4.43
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 140772095) is 5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is CC(C)CCCNS(=O)(=O)c1cn2nc(-c3ccc(F)cc3)c(C(=O)O)c2cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is NPGAANIGVWINFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-14(2)4-3-11-25-32(30,31)20-13-27-19(12-18(20)15-5-6-15)21(23(28)29)22(26-27)16-7-9-17(24)10-8-16/h7-10,12-15,25H,3-6,11H2,1-2H3,(H,28,29).
What are the key properties of 5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 459.54 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpentylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 140772095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).