3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole

C18H13N7O — CID 167863234

IUPAC3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESc1n[nH]c(Cc2ccc(-c3nc(-c4ccn5cncc5c4)no3)cc2)n1
InChIInChI=1S/C18H13N7O/c1-3-13(4-2-12(1)7-16-20-10-21-23-16)18-22-17(24-26-18)14-5-6-25-11-19-9-15(25)8-14/h1-6,8-11H,7H2,(H,20,21,23)
InChIKeyAGLVKUCRHKKCBC-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.76
Rot. Bonds4

About 3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole

3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 167863234) has the molecular formula C18H13N7O and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole
PubChem CID167863234
Molecular FormulaC18H13N7O
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESc1n[nH]c(Cc2ccc(-c3nc(-c4ccn5cncc5c4)no3)cc2)n1
InChIInChI=1S/C18H13N7O/c1-3-13(4-2-12(1)7-16-20-10-21-23-16)18-22-17(24-26-18)14-5-6-25-11-19-9-15(25)8-14/h1-6,8-11H,7H2,(H,20,21,23)
InChIKeyAGLVKUCRHKKCBC-UHFFFAOYSA-N
XLogP2.76
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 167863234) is 3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole is c1n[nH]c(Cc2ccc(-c3nc(-c4ccn5cncc5c4)no3)cc2)n1.
What is the InChIKey of 3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is AGLVKUCRHKKCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O/c1-3-13(4-2-12(1)7-16-20-10-21-23-16)18-22-17(24-26-18)14-5-6-25-11-19-9-15(25)8-14/h1-6,8-11H,7H2,(H,20,21,23).
What are the key properties of 3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole?
3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 343.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,5-a]pyridin-7-yl-5-[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167863234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).