2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

C18H19FN4O2S — CID 90571641

IUPAC2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C18H19FN4O2S/c19-15-4-3-6-18(12-15)26(24,25)22-10-8-21(9-11-22)14-16-13-17-5-1-2-7-23(17)20-16/h1-7,12-13H,8-11,14H2
InChIKeyCYZXNMGWROIFRJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.98
Rot. Bonds4

About 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 90571641) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID90571641
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C18H19FN4O2S/c19-15-4-3-6-18(12-15)26(24,25)22-10-8-21(9-11-22)14-16-13-17-5-1-2-7-23(17)20-16/h1-7,12-13H,8-11,14H2
InChIKeyCYZXNMGWROIFRJ-UHFFFAOYSA-N
XLogP1.98
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 90571641) is 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is O=S(=O)(c1cccc(F)c1)N1CCN(Cc2cc3ccccn3n2)CC1.
What is the InChIKey of 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is CYZXNMGWROIFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c19-15-4-3-6-18(12-15)26(24,25)22-10-8-21(9-11-22)14-16-13-17-5-1-2-7-23(17)20-16/h1-7,12-13H,8-11,14H2.
What are the key properties of 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 374.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 90571641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).