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

C25H24FN5O2 — CID 90641126

IUPAC[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCCC(Cc3nc(-c4ccccc4F)no3)C2)cnn1-c1ccccc1
InChIInChI=1S/C25H24FN5O2/c1-17-21(15-27-31(17)19-9-3-2-4-10-19)25(32)30-13-7-8-18(16-30)14-23-28-24(29-33-23)20-11-5-6-12-22(20)26/h2-6,9-12,15,18H,7-8,13-14,16H2,1H3
InChIKeyCMPQPIKVCNCJBK-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.46
Rot. Bonds5

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

[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 90641126) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID90641126
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCCC(Cc3nc(-c4ccccc4F)no3)C2)cnn1-c1ccccc1
InChIInChI=1S/C25H24FN5O2/c1-17-21(15-27-31(17)19-9-3-2-4-10-19)25(32)30-13-7-8-18(16-30)14-23-28-24(29-33-23)20-11-5-6-12-22(20)26/h2-6,9-12,15,18H,7-8,13-14,16H2,1H3
InChIKeyCMPQPIKVCNCJBK-UHFFFAOYSA-N
XLogP4.46
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (CID 90641126) is [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CCCC(Cc3nc(-c4ccccc4F)no3)C2)cnn1-c1ccccc1.
What is the InChIKey of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is CMPQPIKVCNCJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-17-21(15-27-31(17)19-9-3-2-4-10-19)25(32)30-13-7-8-18(16-30)14-23-28-24(29-33-23)20-11-5-6-12-22(20)26/h2-6,9-12,15,18H,7-8,13-14,16H2,1H3.
What are the key properties of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 445.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 90641126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).