[2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone

C25H22F3N5O2 — CID 10277553

IUPAC[2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2nnc(-c3cccc(F)c3F)o2)n1
InChIInChI=1S/C25H22F3N5O2/c1-32-14-19(15-8-10-16(26)11-9-15)23(31-32)25(34)33-12-3-2-5-17(33)13-21-29-30-24(35-21)18-6-4-7-20(27)22(18)28/h4,6-11,14,17H,2-3,5,12-13H2,1H3
InChIKeyFURXIQCIRYCGNW-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.79
Rot. Bonds5

About [2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone

[2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone (PubChem CID 10277553) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is [2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
PubChem CID10277553
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name[2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2nnc(-c3cccc(F)c3F)o2)n1
InChIInChI=1S/C25H22F3N5O2/c1-32-14-19(15-8-10-16(26)11-9-15)23(31-32)25(34)33-12-3-2-5-17(33)13-21-29-30-24(35-21)18-6-4-7-20(27)22(18)28/h4,6-11,14,17H,2-3,5,12-13H2,1H3
InChIKeyFURXIQCIRYCGNW-UHFFFAOYSA-N
XLogP4.79
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The IUPAC name of [2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone (CID 10277553) is [2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone.
What is the SMILES notation for [2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The canonical SMILES for [2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone is Cn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2nnc(-c3cccc(F)c3F)o2)n1.
What is the InChIKey of [2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The InChIKey is FURXIQCIRYCGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-32-14-19(15-8-10-16(26)11-9-15)23(31-32)25(34)33-12-3-2-5-17(33)13-21-29-30-24(35-21)18-6-4-7-20(27)22(18)28/h4,6-11,14,17H,2-3,5,12-13H2,1H3.
What are the key properties of [2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
[2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone has a molecular weight of 481.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone is sourced from PubChem (CID 10277553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).