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

C21H17FN8O — CID 118538773

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazole-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ncc[nH]4)cn3n2)n1C
InChIInChI=1S/C21H17FN8O/c1-12-25-18(13-3-5-14(22)6-4-13)19(29(12)2)15-7-8-17-26-16(11-30(17)28-15)27-21(31)20-23-9-10-24-20/h3-11H,1-2H3,(H,23,24)(H,27,31)
InChIKeyLTKWQHLYQNSMDE-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.22
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazole-2-carboxamide (PubChem CID 118538773) has the molecular formula C21H17FN8O and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazole-2-carboxamide
PubChem CID118538773
Molecular FormulaC21H17FN8O
Molecular Weight416.42 g/mol
Exact Mass416.15
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazole-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ncc[nH]4)cn3n2)n1C
InChIInChI=1S/C21H17FN8O/c1-12-25-18(13-3-5-14(22)6-4-13)19(29(12)2)15-7-8-17-26-16(11-30(17)28-15)27-21(31)20-23-9-10-24-20/h3-11H,1-2H3,(H,23,24)(H,27,31)
InChIKeyLTKWQHLYQNSMDE-UHFFFAOYSA-N
XLogP3.22
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazole-2-carboxamide (CID 118538773) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazole-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]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazole-2-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ncc[nH]4)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazole-2-carboxamide?
The InChIKey is LTKWQHLYQNSMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN8O/c1-12-25-18(13-3-5-14(22)6-4-13)19(29(12)2)15-7-8-17-26-16(11-30(17)28-15)27-21(31)20-23-9-10-24-20/h3-11H,1-2H3,(H,23,24)(H,27,31).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazole-2-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-imidazole-2-carboxamide has a molecular weight of 416.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 118538773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).