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

C22H23FN6O — CID 118538982

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C(C)(C)C)cn3n2)n1C
InChIInChI=1S/C22H23FN6O/c1-13-24-19(14-6-8-15(23)9-7-14)20(28(13)5)16-10-11-18-25-17(12-29(18)27-16)26-21(30)22(2,3)4/h6-12H,1-5H3,(H,26,30)
InChIKeyZPRBWRZQAJOOBL-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.23
Rot. Bonds3

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 118538982) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
PubChem CID118538982
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C(C)(C)C)cn3n2)n1C
InChIInChI=1S/C22H23FN6O/c1-13-24-19(14-6-8-15(23)9-7-14)20(28(13)5)16-10-11-18-25-17(12-29(18)27-16)26-21(30)22(2,3)4/h6-12H,1-5H3,(H,26,30)
InChIKeyZPRBWRZQAJOOBL-UHFFFAOYSA-N
XLogP4.23
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (CID 118538982) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C(C)(C)C)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is ZPRBWRZQAJOOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-13-24-19(14-6-8-15(23)9-7-14)20(28(13)5)16-10-11-18-25-17(12-29(18)27-16)26-21(30)22(2,3)4/h6-12H,1-5H3,(H,26,30).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 406.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 118538982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).