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

C18H18F2N4O2S — CID 90571628

IUPAC2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C18H18F2N4O2S/c19-14-4-5-18(17(20)11-14)27(25,26)23-9-7-22(8-10-23)13-15-12-16-3-1-2-6-24(16)21-15/h1-6,11-12H,7-10,13H2
InChIKeyPWTHJPXJBJAWOX-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.12
Rot. Bonds4

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

2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 90571628) has the molecular formula C18H18F2N4O2S and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID90571628
Molecular FormulaC18H18F2N4O2S
Molecular Weight392.43 g/mol
Exact Mass392.11
IUPAC Name2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C18H18F2N4O2S/c19-14-4-5-18(17(20)11-14)27(25,26)23-9-7-22(8-10-23)13-15-12-16-3-1-2-6-24(16)21-15/h1-6,11-12H,7-10,13H2
InChIKeyPWTHJPXJBJAWOX-UHFFFAOYSA-N
XLogP2.12
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 90571628) is 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2cc3ccccn3n2)CC1.
What is the InChIKey of 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is PWTHJPXJBJAWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S/c19-14-4-5-18(17(20)11-14)27(25,26)23-9-7-22(8-10-23)13-15-12-16-3-1-2-6-24(16)21-15/h1-6,11-12H,7-10,13H2.
What are the key properties of 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 392.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 90571628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).