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

C22H28N4O2S — CID 90571656

IUPAC2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3cc4ccccn4n3)CC2)cc1
InChIInChI=1S/C22H28N4O2S/c1-22(2,3)18-7-9-21(10-8-18)29(27,28)25-14-12-24(13-15-25)17-19-16-20-6-4-5-11-26(20)23-19/h4-11,16H,12-15,17H2,1-3H3
InChIKeyMFFBEKWBIVMDCZ-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.14
Rot. Bonds4

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

2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 90571656) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID90571656
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC Name2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3cc4ccccn4n3)CC2)cc1
InChIInChI=1S/C22H28N4O2S/c1-22(2,3)18-7-9-21(10-8-18)29(27,28)25-14-12-24(13-15-25)17-19-16-20-6-4-5-11-26(20)23-19/h4-11,16H,12-15,17H2,1-3H3
InChIKeyMFFBEKWBIVMDCZ-UHFFFAOYSA-N
XLogP3.14
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.14
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-(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-(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-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571628
2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
CID 90571603
2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
CID 90571670
2-[[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571664
1-(benzenesulfonyl)-4-[(4-tert-butylphenyl)methyl]piperazine
CID 17349681
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665639
1-(4-tert-butylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534091

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 90571656) is 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3cc4ccccn4n3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is MFFBEKWBIVMDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-22(2,3)18-7-9-21(10-8-18)29(27,28)25-14-12-24(13-15-25)17-19-16-20-6-4-5-11-26(20)23-19/h4-11,16H,12-15,17H2,1-3H3.
What are the key properties of 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 412.56 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 90571656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).