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

C21H16FN7O2 — CID 118538828

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cocn4)cn3n2)n1C
InChIInChI=1S/C21H16FN7O2/c1-12-24-19(13-3-5-14(22)6-4-13)20(28(12)2)15-7-8-18-25-17(9-29(18)27-15)26-21(30)16-10-31-11-23-16/h3-11H,1-2H3,(H,26,30)
InChIKeyXPSZFXPMQKZSTR-UHFFFAOYSA-N
MW417.40 g/mol
LogP3.48
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 118538828) has the molecular formula C21H16FN7O2 and a molecular weight of 417.40 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID118538828
Molecular FormulaC21H16FN7O2
Molecular Weight417.40 g/mol
Exact Mass417.13
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cocn4)cn3n2)n1C
InChIInChI=1S/C21H16FN7O2/c1-12-24-19(13-3-5-14(22)6-4-13)20(28(12)2)15-7-8-18-25-17(9-29(18)27-15)26-21(30)16-10-31-11-23-16/h3-11H,1-2H3,(H,26,30)
InChIKeyXPSZFXPMQKZSTR-UHFFFAOYSA-N
XLogP3.48
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-oxazole-4-carboxamide (CID 118538828) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-oxazole-4-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cocn4)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is XPSZFXPMQKZSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7O2/c1-12-24-19(13-3-5-14(22)6-4-13)20(28(12)2)15-7-8-18-25-17(9-29(18)27-15)26-21(30)16-10-31-11-23-16/h3-11H,1-2H3,(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]-1,3-oxazole-4-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 417.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118538828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).