3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one

C22H17BrFN7O2 — CID 160857624

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

3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 160857624) has the molecular formula C22H17BrFN7O2 and a molecular weight of 510.33 g/mol. Its IUPAC name is 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
• PubChem CID: 160857624
• Molecular Formula: C22H17BrFN7O2
• Molecular Weight: 510.33 g/mol
• Exact Mass: 509.06
• IUPAC Name: 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
• SMILES: O=C(CCc1ncn2ccc(Br)c(F)c12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1
• InChI: InChI=1S/C22H17BrFN7O2/c23-14-7-8-30-11-25-16(21(30)20(14)24)3-5-17(32)22-28-27-19(33-22)9-13-10-31-18(26-13)6-4-15(29-31)12-1-2-12/h4,6-8,10-12H,1-3,5,9H2
• InChIKey: BYPYBPKYZYYVAI-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 103.48 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.33
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one (CID 160857624) is 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one.

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

The canonical SMILES for 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one is O=C(CCc1ncn2ccc(Br)c(F)c12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.

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

The InChIKey is BYPYBPKYZYYVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN7O2/c23-14-7-8-30-11-25-16(21(30)20(14)24)3-5-17(32)22-28-27-19(33-22)9-13-10-31-18(26-13)6-4-15(29-31)12-1-2-12/h4,6-8,10-12H,1-3,5,9H2.

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

3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 510.33 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[5-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 160857624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).