3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole

C24H15FN6O — CID 22030990

IUPAC3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESFc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4noc(-c5ccccc5)n4)n3c2)cc1
InChIInChI=1S/C24H15FN6O/c25-18-9-6-15(7-10-18)22-19(12-27-29-22)17-8-11-21-26-13-20(31(21)14-17)23-28-24(32-30-23)16-4-2-1-3-5-16/h1-14H,(H,27,29)
InChIKeyFGVLOURQPKGHGU-UHFFFAOYSA-N
MW422.42 g/mol
LogP5.25
Rot. Bonds4

About 3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole

3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 22030990) has the molecular formula C24H15FN6O and a molecular weight of 422.42 g/mol. Its IUPAC name is 3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID22030990
Molecular FormulaC24H15FN6O
Molecular Weight422.42 g/mol
Exact Mass422.13
IUPAC Name3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESFc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4noc(-c5ccccc5)n4)n3c2)cc1
InChIInChI=1S/C24H15FN6O/c25-18-9-6-15(7-10-18)22-19(12-27-29-22)17-8-11-21-26-13-20(31(21)14-17)23-28-24(32-30-23)16-4-2-1-3-5-16/h1-14H,(H,27,29)
InChIKeyFGVLOURQPKGHGU-UHFFFAOYSA-N
XLogP5.25
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-3-methyl-1H-pyrazole-4-carboxamide
CID 118538852
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 118538887
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(2-(1H-pyrazol-4-yl)ethyl-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)isonicotinamide
CID 118547775
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-((1-methyl-1H-pyrazol-4-yl) methyl)-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl) isonicotinamide
CID 118547786
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-4-(1H-pyrazol-3-yl) benzamide
CID 136214284
1,3-dipropyl-8-(1-((5-(2-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
CID 44406567
5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 164612226
5-[2-fluoro-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 164615545
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164622758
N-((5-(1-(2-(1H-imidazol-1-yl)ethyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methyl)benzamide
CID 52920492
2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53239343
5-(1-Cyclohexyl-5-pyridin-4-ylpyrazol-4-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 49835536

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole (CID 22030990) is 3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole is Fc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4noc(-c5ccccc5)n4)n3c2)cc1.
What is the InChIKey of 3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is FGVLOURQPKGHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6O/c25-18-9-6-15(7-10-18)22-19(12-27-29-22)17-8-11-21-26-13-20(31(21)14-17)23-28-24(32-30-23)16-4-2-1-3-5-16/h1-14H,(H,27,29).
What are the key properties of 3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole?
3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 422.42 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 22030990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).