2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one

C23H24N6O3 — CID 91908405

IUPAC2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1ccc(C(=O)N2CCCC(c3noc(-c4cc5c(=O)[nH]c(C)cn5n4)n3)C2)cc1
InChIInChI=1S/C23H24N6O3/c1-3-15-6-8-16(9-7-15)23(31)28-10-4-5-17(13-28)20-25-22(32-27-20)18-11-19-21(30)24-14(2)12-29(19)26-18/h6-9,11-12,17H,3-5,10,13H2,1-2H3,(H,24,30)
InChIKeyWHZAJHHSGOPTBW-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.96
Rot. Bonds4

About 2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91908405) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91908405
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1ccc(C(=O)N2CCCC(c3noc(-c4cc5c(=O)[nH]c(C)cn5n4)n3)C2)cc1
InChIInChI=1S/C23H24N6O3/c1-3-15-6-8-16(9-7-15)23(31)28-10-4-5-17(13-28)20-25-22(32-27-20)18-11-19-21(30)24-14(2)12-29(19)26-18/h6-9,11-12,17H,3-5,10,13H2,1-2H3,(H,24,30)
InChIKeyWHZAJHHSGOPTBW-UHFFFAOYSA-N
XLogP2.96
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162663246
5-(1-Benzyl-3-tert-butylpyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742654
5-[1-benzyl-3-(tert-butyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 2742608
2-(4-ethylphenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372686
[5-[1-[(4-Methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637064
3-((3-(3-(Aminomethyl)-1,2,4-oxadiazol-5-yl)-1H-indazol-1-yl)methyl)benzamide
CID 42637133
2-(3-{1-[2-(3-Fluorophenyl)acetyl]piperidin-3-YL}-1,2,4-oxadiazol-5-YL)-6-methyl-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 91891331
2-{3-[1-(2-Fluorobenzoyl)piperidin-3-YL]-1,2,4-oxadiazol-5-YL}-6-methyl-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 91908407
5-(2,5-Dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2743875
3-cyclopropyl-1-methyl-N-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 162670628
N-[4-[[3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]acetamide
CID 42637134

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 91908405) is 2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one is CCc1ccc(C(=O)N2CCCC(c3noc(-c4cc5c(=O)[nH]c(C)cn5n4)n3)C2)cc1.
What is the InChIKey of 2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WHZAJHHSGOPTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-3-15-6-8-16(9-7-15)23(31)28-10-4-5-17(13-28)20-25-22(32-27-20)18-11-19-21(30)24-14(2)12-29(19)26-18/h6-9,11-12,17H,3-5,10,13H2,1-2H3,(H,24,30).
What are the key properties of 2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 432.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91908405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).