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

C20H15FN6O2 — CID 22031447

IUPAC3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1nc(-c2cnc3ccc(-c4cn[nH]c4-c4ccccc4F)cn23)no1
InChIInChI=1S/C20H15FN6O2/c1-28-11-18-24-20(26-29-18)16-9-22-17-7-6-12(10-27(16)17)14-8-23-25-19(14)13-4-2-3-5-15(13)21/h2-10H,11H2,1H3,(H,23,25)
InChIKeyCSHBCGSAYOCGFH-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.73
Rot. Bonds5

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

3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 22031447) has the molecular formula C20H15FN6O2 and a molecular weight of 390.38 g/mol. Its IUPAC name is 3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID22031447
Molecular FormulaC20H15FN6O2
Molecular Weight390.38 g/mol
Exact Mass390.12
IUPAC Name3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1nc(-c2cnc3ccc(-c4cn[nH]c4-c4ccccc4F)cn23)no1
InChIInChI=1S/C20H15FN6O2/c1-28-11-18-24-20(26-29-18)16-9-22-17-7-6-12(10-27(16)17)14-8-23-25-19(14)13-4-2-3-5-15(13)21/h2-10H,11H2,1H3,(H,23,25)
InChIKeyCSHBCGSAYOCGFH-UHFFFAOYSA-N
XLogP3.73
TPSA94.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole (CID 22031447) is 3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole is COCc1nc(-c2cnc3ccc(-c4cn[nH]c4-c4ccccc4F)cn23)no1.
What is the InChIKey of 3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is CSHBCGSAYOCGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2/c1-28-11-18-24-20(26-29-18)16-9-22-17-7-6-12(10-27(16)17)14-8-23-25-19(14)13-4-2-3-5-15(13)21/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of 3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole?
3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 390.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 22031447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).