N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

C21H16BrFN8O2 — CID 139487876

About N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 139487876) has the molecular formula C21H16BrFN8O2 and a molecular weight of 511.32 g/mol. Its IUPAC name is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 139487876
• Molecular Formula: C21H16BrFN8O2
• Molecular Weight: 511.32 g/mol
• Exact Mass: 510.06
• IUPAC Name: N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Br)c(F)c12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1
• InChI: InChI=1S/C21H16BrFN8O2/c22-13-5-6-30-10-25-15(19(30)18(13)23)8-24-20(32)21-28-27-17(33-21)7-12-9-31-16(26-12)4-3-14(29-31)11-1-2-11/h3-6,9-11H,1-2,7-8H2,(H,24,32)
• InChIKey: UEDVZORRLUQMJQ-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 115.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.32
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 139487876) is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ncn2ccc(Br)c(F)c12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.

What is the InChIKey of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is UEDVZORRLUQMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN8O2/c22-13-5-6-30-10-25-15(19(30)18(13)23)8-24-20(32)21-28-27-17(33-21)7-12-9-31-16(26-12)4-3-14(29-31)11-1-2-11/h3-6,9-11H,1-2,7-8H2,(H,24,32).

What are the key properties of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 511.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 139487876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).