2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

C18H20N4O2S — CID 90571604

IUPAC2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C18H20N4O2S/c23-25(24,18-7-2-1-3-8-18)21-12-10-20(11-13-21)15-16-14-17-6-4-5-9-22(17)19-16/h1-9,14H,10-13,15H2
InChIKeyXDBWVQLVBSMHNU-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.84
Rot. Bonds4

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

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 90571604) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID90571604
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C18H20N4O2S/c23-25(24,18-7-2-1-3-8-18)21-12-10-20(11-13-21)15-16-14-17-6-4-5-9-22(17)19-16/h1-9,14H,10-13,15H2
InChIKeyXDBWVQLVBSMHNU-UHFFFAOYSA-N
XLogP1.84
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571659
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571641
2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571656
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571628
2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
CID 90571670
2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
CID 90571603
2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571624
2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571649
2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571664
(2-chloro-4-fluorophenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571504
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 90571337

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 90571604) is 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is O=S(=O)(c1ccccc1)N1CCN(Cc2cc3ccccn3n2)CC1.
What is the InChIKey of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is XDBWVQLVBSMHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-25(24,18-7-2-1-3-8-18)21-12-10-20(11-13-21)15-16-14-17-6-4-5-9-22(17)19-16/h1-9,14H,10-13,15H2.
What are the key properties of 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 356.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 90571604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).