2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

C20H24N4O2S — CID 90571664

IUPAC2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESCc1cccc(CS(=O)(=O)N2CCN(Cc3cc4ccccn4n3)CC2)c1
InChIInChI=1S/C20H24N4O2S/c1-17-5-4-6-18(13-17)16-27(25,26)23-11-9-22(10-12-23)15-19-14-20-7-2-3-8-24(20)21-19/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyMWZCHZHLVXKUMU-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.29
Rot. Bonds5

About 2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 90571664) has the molecular formula C20H24N4O2S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID90571664
Molecular FormulaC20H24N4O2S
Molecular Weight384.50 g/mol
Exact Mass384.16
IUPAC Name2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESCc1cccc(CS(=O)(=O)N2CCN(Cc3cc4ccccn4n3)CC2)c1
InChIInChI=1S/C20H24N4O2S/c1-17-5-4-6-18(13-17)16-27(25,26)23-11-9-22(10-12-23)15-19-14-20-7-2-3-8-24(20)21-19/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyMWZCHZHLVXKUMU-UHFFFAOYSA-N
XLogP2.29
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
CID 90571603
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571604
2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571659
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
CID 90571670
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-methyl-3-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]-1H-indole
CID 110397450
2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571649
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
2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 110395825

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 90571664) is 2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is Cc1cccc(CS(=O)(=O)N2CCN(Cc3cc4ccccn4n3)CC2)c1.
What is the InChIKey of 2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is MWZCHZHLVXKUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-17-5-4-6-18(13-17)16-27(25,26)23-11-9-22(10-12-23)15-19-14-20-7-2-3-8-24(20)21-19/h2-8,13-14H,9-12,15-16H2,1H3.
What are the key properties of 2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 384.50 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 90571664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).