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

C18H26N4O2S — CID 90571670

IUPAC2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
SMILESO=S(=O)(C1CCCCC1)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C18H26N4O2S/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/h4-6,9,14,18H,1-3,7-8,10-13,15H2
InChIKeyUONXEYBUOMWVGO-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.11
Rot. Bonds4

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

2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine (PubChem CID 90571670) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
PubChem CID90571670
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
SMILESO=S(=O)(C1CCCCC1)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C18H26N4O2S/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/h4-6,9,14,18H,1-3,7-8,10-13,15H2
InChIKeyUONXEYBUOMWVGO-UHFFFAOYSA-N
XLogP2.11
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Phenyl-piperazin-1-ylmethyl)-pyrazolo[1,5-a]pyridine
CID 15522515
2-Pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 53391873
3-(4-Cyclohexyl-piperazin-1-ylmethyl)-pyrazolo[1,5-a]pyridine
CID 44264742
US10370375, Example 24
CID 118402778
Pyrazolo(1,5-a)pyridine-3-sulfonyl chloride
CID 83887364
Pyrazolo(1,5-a)pyridine-3-sulfonamide
CID 146075373
4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulonamide
CID 2738475
N-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanesulfonamide
CID 71807961
N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)cyclohexanesulfonamide
CID 71807963
4-(1-Methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine
CID 118740182
2-(2-Methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine
CID 118740183
5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
CID 2738467

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine (CID 90571670) is 2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine is O=S(=O)(C1CCCCC1)N1CCN(Cc2cc3ccccn3n2)CC1.
What is the InChIKey of 2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is UONXEYBUOMWVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/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/h4-6,9,14,18H,1-3,7-8,10-13,15H2.
What are the key properties of 2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine?
2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 362.50 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 90571670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).