N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

C21H17FN8O2 — CID 118538722

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)o1
InChIInChI=1S/C21H17FN8O2/c1-11-23-18(13-4-6-14(22)7-5-13)19(29(11)3)15-8-9-17-24-16(10-30(17)28-15)25-20(31)21-27-26-12(2)32-21/h4-10H,1-3H3,(H,25,31)
InChIKeyJCRZXHSAJRHLOO-UHFFFAOYSA-N
MW432.42 g/mol
LogP3.19
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 118538722) has the molecular formula C21H17FN8O2 and a molecular weight of 432.42 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID118538722
Molecular FormulaC21H17FN8O2
Molecular Weight432.42 g/mol
Exact Mass432.15
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)o1
InChIInChI=1S/C21H17FN8O2/c1-11-23-18(13-4-6-14(22)7-5-13)19(29(11)3)15-8-9-17-24-16(10-30(17)28-15)25-20(31)21-27-26-12(2)32-21/h4-10H,1-3H3,(H,25,31)
InChIKeyJCRZXHSAJRHLOO-UHFFFAOYSA-N
XLogP3.19
TPSA116.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 118538722) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is Cc1nnc(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)o1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JCRZXHSAJRHLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN8O2/c1-11-23-18(13-4-6-14(22)7-5-13)19(29(11)3)15-8-9-17-24-16(10-30(17)28-15)25-20(31)21-27-26-12(2)32-21/h4-10H,1-3H3,(H,25,31).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 432.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 118538722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).