lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride

C44H36Cl3F2LiN14O5 — CID 159830344

About lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride

lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride (PubChem CID 159830344) has the molecular formula C44H36Cl3F2LiN14O5 and a molecular weight of 992.16 g/mol. Its IUPAC name is lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride
• PubChem CID: 159830344
• Molecular Formula: C44H36Cl3F2LiN14O5
• Molecular Weight: 992.16 g/mol
• Exact Mass: 990.22
• IUPAC Name: lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride
• SMILES: Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.O=C([O-])c1nnc(Cc2cn3cc(C4CC4)ccc3n2)o1.[Li+]
• InChI: InChI=1S/C22H17ClFN7O2.C14H12N4O3.C8H7ClFN3.ClH.Li/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;19-14(20)13-17-16-12(21-13)5-10-7-18-6-9(8-1-2-8)3-4-11(18)15-10;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;;/h4,6-8,10-12H,1-3,5,9H2;3-4,6-8H,1-2,5H2,(H,19,20);1-2,4H,3,11H2;1H;/q;;;;+1/p-1
• InChIKey: JXSVKSKKFMVXOM-UHFFFAOYSA-M
• XLogP: 3.40
• TPSA: 243.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.16
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

The IUPAC name of lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride (CID 159830344) is lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride.

What is the SMILES notation for lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

The canonical SMILES for lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride is Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1nnc(Cc2cn3nc(C4CC4)ccc3n2)o1.O=C([O-])c1nnc(Cc2cn3cc(C4CC4)ccc3n2)o1.[Li+].

What is the InChIKey of lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

The InChIKey is JXSVKSKKFMVXOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17ClFN7O2.C14H12N4O3.C8H7ClFN3.ClH.Li/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;19-14(20)13-17-16-12(21-13)5-10-7-18-6-9(8-1-2-8)3-4-11(18)15-10;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;;/h4,6-8,10-12H,1-3,5,9H2;3-4,6-8H,1-2,5H2,(H,19,20);1-2,4H,3,11H2;1H;/q;;;;+1/p-1.

What are the key properties of lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride?

lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride has a molecular weight of 992.16 g/mol, XLogP of 3.40, 12 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-(7-chloro-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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3,4-oxadiazole-2-carboxylate;hydrochloride is sourced from PubChem (CID 159830344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).