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

C26H18ClFN4O4S — CID 10187046

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCc2ccn3nc(-c4ccc(F)cc4)c(-c4ccncc4)c3c2)ccc1Cl
InChIInChI=1S/C26H18ClFN4O4S/c27-21-6-3-19(14-23(21)37(29,34)35)26(33)36-15-16-9-12-32-22(13-16)24(17-7-10-30-11-8-17)25(31-32)18-1-4-20(28)5-2-18/h1-14H,15H2,(H2,29,34,35)
InChIKeyBEHKUNZQRVBEPW-UHFFFAOYSA-N
MW536.97 g/mol
LogP4.86
Rot. Bonds6

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

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate (PubChem CID 10187046) has the molecular formula C26H18ClFN4O4S and a molecular weight of 536.97 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate
PubChem CID10187046
Molecular FormulaC26H18ClFN4O4S
Molecular Weight536.97 g/mol
Exact Mass536.07
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCc2ccn3nc(-c4ccc(F)cc4)c(-c4ccncc4)c3c2)ccc1Cl
InChIInChI=1S/C26H18ClFN4O4S/c27-21-6-3-19(14-23(21)37(29,34)35)26(33)36-15-16-9-12-32-22(13-16)24(17-7-10-30-11-8-17)25(31-32)18-1-4-20(28)5-2-18/h1-14H,15H2,(H2,29,34,35)
InChIKeyBEHKUNZQRVBEPW-UHFFFAOYSA-N
XLogP4.86
TPSA116.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.97
LogP ≤ 54.86
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-5-yl]methyl 4-chloro-3-sulfamoylbenzoate?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate (CID 10187046) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate is NS(=O)(=O)c1cc(C(=O)OCc2ccn3nc(-c4ccc(F)cc4)c(-c4ccncc4)c3c2)ccc1Cl.
What is the InChIKey of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate?
The InChIKey is BEHKUNZQRVBEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN4O4S/c27-21-6-3-19(14-23(21)37(29,34)35)26(33)36-15-16-9-12-32-22(13-16)24(17-7-10-30-11-8-17)25(31-32)18-1-4-20(28)5-2-18/h1-14H,15H2,(H2,29,34,35).
What are the key properties of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 4-chloro-3-sulfamoylbenzoate has a molecular weight of 536.97 g/mol, XLogP of 4.86, 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-5-yl]methyl 4-chloro-3-sulfamoylbenzoate is sourced from PubChem (CID 10187046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).