2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

C23H18FN5O3 — CID 27372883

IUPAC2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)cc5)no4)ccn3n2)cc1
InChIInChI=1S/C23H18FN5O3/c1-2-31-18-9-5-15(6-10-18)19-13-20-23(30)28(11-12-29(20)26-19)14-21-25-22(27-32-21)16-3-7-17(24)8-4-16/h3-13H,2,14H2,1H3
InChIKeyQIVLWRUGGQWJML-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.80
Rot. Bonds6

About 2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372883) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372883
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC Name2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)cc5)no4)ccn3n2)cc1
InChIInChI=1S/C23H18FN5O3/c1-2-31-18-9-5-15(6-10-18)19-13-20-23(30)28(11-12-29(20)26-19)14-21-25-22(27-32-21)16-3-7-17(24)8-4-16/h3-13H,2,14H2,1H3
InChIKeyQIVLWRUGGQWJML-UHFFFAOYSA-N
XLogP3.80
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[3-[[3-[3-[4-(Trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenoxy]ethyl]piperidin-4-ol
CID 141467461
5-[1-[[3-[2-(4-Methylpiperazin-1-yl)ethoxy]phenyl]methyl]indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467463
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16025918
3-Benzyl-5-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
CID 16733046
1-[(2R)-2-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689450
(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidino)(1-methyl-1H-pyrazol-5-yl)methanone
CID 91918567
5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 16025912
tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637279
tert-butyl N-[[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637432
3-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]-5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 91909844
3-[4-(4-fluorophenoxy)phenyl]-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 118730618
3-(3-{4-[5-(Methoxymethyl)-1,2,4-oxadiazol-3-YL]phenoxy}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole
CID 91905415

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27372883) is 2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)cc5)no4)ccn3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is QIVLWRUGGQWJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-2-31-18-9-5-15(6-10-18)19-13-20-23(30)28(11-12-29(20)26-19)14-21-25-22(27-32-21)16-3-7-17(24)8-4-16/h3-13H,2,14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 431.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).