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

C22H18FN7O2 — CID 118538651

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)co1
InChIInChI=1S/C22H18FN7O2/c1-12-24-20(14-4-6-15(23)7-5-14)21(29(12)3)16-8-9-19-26-18(10-30(19)28-16)27-22(31)17-11-32-13(2)25-17/h4-11H,1-3H3,(H,27,31)
InChIKeyVBFMXHXHSWZOOP-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.79
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 118538651) has the molecular formula C22H18FN7O2 and a molecular weight of 431.43 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-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]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID118538651
Molecular FormulaC22H18FN7O2
Molecular Weight431.43 g/mol
Exact Mass431.15
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)co1
InChIInChI=1S/C22H18FN7O2/c1-12-24-20(14-4-6-15(23)7-5-14)21(29(12)3)16-8-9-19-26-18(10-30(19)28-16)27-22(31)17-11-32-13(2)25-17/h4-11H,1-3H3,(H,27,31)
InChIKeyVBFMXHXHSWZOOP-UHFFFAOYSA-N
XLogP3.79
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.79
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]-2-methyl-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]-2-methyl-1,3-oxazole-4-carboxamide (CID 118538651) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-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]-2-methyl-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]-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)co1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is VBFMXHXHSWZOOP-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)16-8-9-19-26-18(10-30(19)28-16)27-22(31)17-11-32-13(2)25-17/h4-11H,1-3H3,(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]-2-methyl-1,3-oxazole-4-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 431.43 g/mol, XLogP of 3.79, 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]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118538651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).