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

C24H22FN5O2 — CID 91907974

IUPAC[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCCC(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C24H22FN5O2/c25-19-10-8-17(9-11-19)22-20(14-26-28-22)24(31)30-12-4-5-16(15-30)13-21-27-23(32-29-21)18-6-2-1-3-7-18/h1-3,6-11,14,16H,4-5,12-13,15H2,(H,26,28)
InChIKeyGDQQVRCYSKRYDL-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.36
Rot. Bonds5

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

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91907974) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID91907974
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCCC(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C24H22FN5O2/c25-19-10-8-17(9-11-19)22-20(14-26-28-22)24(31)30-12-4-5-16(15-30)13-21-27-23(32-29-21)18-6-2-1-3-7-18/h1-3,6-11,14,16H,4-5,12-13,15H2,(H,26,28)
InChIKeyGDQQVRCYSKRYDL-UHFFFAOYSA-N
XLogP4.36
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone (CID 91907974) is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone is O=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCCC(Cc2noc(-c3ccccc3)n2)C1.
What is the InChIKey of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is GDQQVRCYSKRYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-19-10-8-17(9-11-19)22-20(14-26-28-22)24(31)30-12-4-5-16(15-30)13-21-27-23(32-29-21)18-6-2-1-3-7-18/h1-3,6-11,14,16H,4-5,12-13,15H2,(H,26,28).
What are the key properties of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 431.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91907974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).