[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate

C26H19FN4O4S — CID 10117919

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(C(=O)OCc2cccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C26H19FN4O4S/c27-20-8-4-18(5-9-20)25-24(17-12-14-29-15-13-17)23-3-1-2-21(31(23)30-25)16-35-26(32)19-6-10-22(11-7-19)36(28,33)34/h1-15H,16H2,(H2,28,33,34)
InChIKeySUAMKHARJVNVNQ-UHFFFAOYSA-N
MW502.53 g/mol
LogP4.21
Rot. Bonds6

About [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate (PubChem CID 10117919) has the molecular formula C26H19FN4O4S and a molecular weight of 502.53 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate
PubChem CID10117919
Molecular FormulaC26H19FN4O4S
Molecular Weight502.53 g/mol
Exact Mass502.11
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(C(=O)OCc2cccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C26H19FN4O4S/c27-20-8-4-18(5-9-20)25-24(17-12-14-29-15-13-17)23-3-1-2-21(31(23)30-25)16-35-26(32)19-6-10-22(11-7-19)36(28,33)34/h1-15H,16H2,(H2,28,33,34)
InChIKeySUAMKHARJVNVNQ-UHFFFAOYSA-N
XLogP4.21
TPSA116.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate (CID 10117919) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate is NS(=O)(=O)c1ccc(C(=O)OCc2cccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn23)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate?
The InChIKey is SUAMKHARJVNVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O4S/c27-20-8-4-18(5-9-20)25-24(17-12-14-29-15-13-17)23-3-1-2-21(31(23)30-25)16-35-26(32)19-6-10-22(11-7-19)36(28,33)34/h1-15H,16H2,(H2,28,33,34).
What are the key properties of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate has a molecular weight of 502.53 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate is sourced from PubChem (CID 10117919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).