2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

C20H24N4O3S — CID 90571649

IUPAC2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESCCOc1ccccc1S(=O)(=O)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C20H24N4O3S/c1-2-27-19-8-3-4-9-20(19)28(25,26)23-13-11-22(12-14-23)16-17-15-18-7-5-6-10-24(18)21-17/h3-10,15H,2,11-14,16H2,1H3
InChIKeyOBCMJSUDOUZVRY-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.24
Rot. Bonds6

About 2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 90571649) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID90571649
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESCCOc1ccccc1S(=O)(=O)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C20H24N4O3S/c1-2-27-19-8-3-4-9-20(19)28(25,26)23-13-11-22(12-14-23)16-17-15-18-7-5-6-10-24(18)21-17/h3-10,15H,2,11-14,16H2,1H3
InChIKeyOBCMJSUDOUZVRY-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 90571649) is 2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is CCOc1ccccc1S(=O)(=O)N1CCN(Cc2cc3ccccn3n2)CC1.
What is the InChIKey of 2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is OBCMJSUDOUZVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-2-27-19-8-3-4-9-20(19)28(25,26)23-13-11-22(12-14-23)16-17-15-18-7-5-6-10-24(18)21-17/h3-10,15H,2,11-14,16H2,1H3.
What are the key properties of 2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 400.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 90571649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).