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

C25H23F2N5O2 — CID 10298429

IUPAC[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2nnc(-c3ccccc3F)o2)n1
InChIInChI=1S/C25H23F2N5O2/c1-31-15-20(16-9-11-17(26)12-10-16)23(30-31)25(33)32-13-5-4-6-18(32)14-22-28-29-24(34-22)19-7-2-3-8-21(19)27/h2-3,7-12,15,18H,4-6,13-14H2,1H3
InChIKeyLKWFDKGZTKWUBO-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.65
Rot. Bonds5

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

[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 10298429) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID10298429
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2nnc(-c3ccccc3F)o2)n1
InChIInChI=1S/C25H23F2N5O2/c1-31-15-20(16-9-11-17(26)12-10-16)23(30-31)25(33)32-13-5-4-6-18(32)14-22-28-29-24(34-22)19-7-2-3-8-21(19)27/h2-3,7-12,15,18H,4-6,13-14H2,1H3
InChIKeyLKWFDKGZTKWUBO-UHFFFAOYSA-N
XLogP4.65
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone (CID 10298429) is [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone is Cn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2nnc(-c3ccccc3F)o2)n1.
What is the InChIKey of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is LKWFDKGZTKWUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-31-15-20(16-9-11-17(26)12-10-16)23(30-31)25(33)32-13-5-4-6-18(32)14-22-28-29-24(34-22)19-7-2-3-8-21(19)27/h2-3,7-12,15,18H,4-6,13-14H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone?
[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 463.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10298429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).