5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole

C19H16N6OS — CID 167808517

IUPAC5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole
SMILESCc1ccc(C)n1-c1nc(Cc2nc(-c3ccn4cncc4c3)no2)cs1
InChIInChI=1S/C19H16N6OS/c1-12-3-4-13(2)25(12)19-21-15(10-27-19)8-17-22-18(23-26-17)14-5-6-24-11-20-9-16(24)7-14/h3-7,9-11H,8H2,1-2H3
InChIKeyIMFYCXBCXYEQTJ-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.84
Rot. Bonds4

About 5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole

5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole (PubChem CID 167808517) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole
PubChem CID167808517
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole
SMILESCc1ccc(C)n1-c1nc(Cc2nc(-c3ccn4cncc4c3)no2)cs1
InChIInChI=1S/C19H16N6OS/c1-12-3-4-13(2)25(12)19-21-15(10-27-19)8-17-22-18(23-26-17)14-5-6-24-11-20-9-16(24)7-14/h3-7,9-11H,8H2,1-2H3
InChIKeyIMFYCXBCXYEQTJ-UHFFFAOYSA-N
XLogP3.84
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 82895452
3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 167863234
1-methyl-4-[5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 154780658
4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 81274489
N-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347445
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347349
3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole
CID 75370380
3-(3,4-dimethoxyphenyl)-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55505939
[3-(3-methyl-1,2-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117332233
[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359747
3-(methylsulfanylmethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazole
CID 72846179

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole (CID 167808517) is 5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole is Cc1ccc(C)n1-c1nc(Cc2nc(-c3ccn4cncc4c3)no2)cs1.
What is the InChIKey of 5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole?
The InChIKey is IMFYCXBCXYEQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-12-3-4-13(2)25(12)19-21-15(10-27-19)8-17-22-18(23-26-17)14-5-6-24-11-20-9-16(24)7-14/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole?
5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole has a molecular weight of 376.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]methyl]-3-imidazo[1,5-a]pyridin-7-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167808517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).