2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone

C22H18FN7O2 — CID 149399215

IUPAC2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
SMILESCc1nnc(C(=O)Cc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)o1
InChIInChI=1S/C22H18FN7O2/c1-12-24-20(14-4-6-15(23)7-5-14)21(29(12)3)17-8-9-19-25-16(11-30(19)28-17)10-18(31)22-27-26-13(2)32-22/h4-9,11H,10H2,1-3H3
InChIKeyYPAZLCGHJUEFPT-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.36
Rot. Bonds5

About 2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone

2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone (PubChem CID 149399215) has the molecular formula C22H18FN7O2 and a molecular weight of 431.43 g/mol. Its IUPAC name is 2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
PubChem CID149399215
Molecular FormulaC22H18FN7O2
Molecular Weight431.43 g/mol
Exact Mass431.15
IUPAC Name2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
SMILESCc1nnc(C(=O)Cc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)o1
InChIInChI=1S/C22H18FN7O2/c1-12-24-20(14-4-6-15(23)7-5-14)21(29(12)3)17-8-9-19-25-16(11-30(19)28-17)10-18(31)22-27-26-13(2)32-22/h4-9,11H,10H2,1-3H3
InChIKeyYPAZLCGHJUEFPT-UHFFFAOYSA-N
XLogP3.36
TPSA104.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The IUPAC name of 2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone (CID 149399215) is 2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone.
What is the SMILES notation for 2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The canonical SMILES for 2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone is Cc1nnc(C(=O)Cc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)o1.
What is the InChIKey of 2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
The InChIKey is YPAZLCGHJUEFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O2/c1-12-24-20(14-4-6-15(23)7-5-14)21(29(12)3)17-8-9-19-25-16(11-30(19)28-17)10-18(31)22-27-26-13(2)32-22/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone?
2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone has a molecular weight of 431.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone is sourced from PubChem (CID 149399215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).