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

C15H22N4O2S — CID 90571603

IUPAC2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
SMILESCCCS(=O)(=O)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C15H22N4O2S/c1-2-11-22(20,21)18-9-7-17(8-10-18)13-14-12-15-5-3-4-6-19(15)16-14/h3-6,12H,2,7-11,13H2,1H3
InChIKeyPBSCNXAUIOJFHO-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.19
Rot. Bonds5

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

2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine (PubChem CID 90571603) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
PubChem CID90571603
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
SMILESCCCS(=O)(=O)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C15H22N4O2S/c1-2-11-22(20,21)18-9-7-17(8-10-18)13-14-12-15-5-3-4-6-19(15)16-14/h3-6,12H,2,7-11,13H2,1H3
InChIKeyPBSCNXAUIOJFHO-UHFFFAOYSA-N
XLogP1.19
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571604
2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571664
2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571659
2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
CID 90571670
2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571656
2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571649
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571641
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571628
2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571624
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide
CID 90569737
(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571382
[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-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine (CID 90571603) is 2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine is CCCS(=O)(=O)N1CCN(Cc2cc3ccccn3n2)CC1.
What is the InChIKey of 2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is PBSCNXAUIOJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-2-11-22(20,21)18-9-7-17(8-10-18)13-14-12-15-5-3-4-6-19(15)16-14/h3-6,12H,2,7-11,13H2,1H3.
What are the key properties of 2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine?
2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 322.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 90571603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).