3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole

C19H12F3N5O — CID 70881369

IUPAC3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole
SMILESCc1cc(C(F)(F)F)cn2cc(-c3nc(-c4cccc5[nH]ccc45)no3)nc12
InChIInChI=1S/C19H12F3N5O/c1-10-7-11(19(20,21)22)8-27-9-15(24-17(10)27)18-25-16(26-28-18)13-3-2-4-14-12(13)5-6-23-14/h2-9,23H,1H3
InChIKeyLWSREXJKLQTZGR-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.86
Rot. Bonds2

About 3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole

3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole (PubChem CID 70881369) has the molecular formula C19H12F3N5O and a molecular weight of 383.33 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole
PubChem CID70881369
Molecular FormulaC19H12F3N5O
Molecular Weight383.33 g/mol
Exact Mass383.10
IUPAC Name3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole
SMILESCc1cc(C(F)(F)F)cn2cc(-c3nc(-c4cccc5[nH]ccc45)no3)nc12
InChIInChI=1S/C19H12F3N5O/c1-10-7-11(19(20,21)22)8-27-9-15(24-17(10)27)18-25-16(26-28-18)13-3-2-4-14-12(13)5-6-23-14/h2-9,23H,1H3
InChIKeyLWSREXJKLQTZGR-UHFFFAOYSA-N
XLogP4.86
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole (CID 70881369) is 3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole is Cc1cc(C(F)(F)F)cn2cc(-c3nc(-c4cccc5[nH]ccc45)no3)nc12.
What is the InChIKey of 3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole?
The InChIKey is LWSREXJKLQTZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O/c1-10-7-11(19(20,21)22)8-27-9-15(24-17(10)27)18-25-16(26-28-18)13-3-2-4-14-12(13)5-6-23-14/h2-9,23H,1H3.
What are the key properties of 3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole?
3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole has a molecular weight of 383.33 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-5-[8-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 70881369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).