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

C22H18FN7O2 — CID 118538880

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1
InChIInChI=1S/C22H18FN7O2/c1-12-16(10-24-32-12)22(31)27-18-11-30-19(26-18)9-8-17(28-30)21-20(25-13(2)29(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,27,31)
InChIKeyNPTQNYUVAVKHBU-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]-5-methyl-1,2-oxazole-4-carboxamide

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 118538880) 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]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID118538880
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]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1
InChIInChI=1S/C22H18FN7O2/c1-12-16(10-24-32-12)22(31)27-18-11-30-19(26-18)9-8-17(28-30)21-20(25-13(2)29(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,27,31)
InChIKeyNPTQNYUVAVKHBU-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]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 118538880) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,2-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]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NPTQNYUVAVKHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O2/c1-12-16(10-24-32-12)22(31)27-18-11-30-19(26-18)9-8-17(28-30)21-20(25-13(2)29(21)3)14-4-6-15(23)7-5-14/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]-5-methyl-1,2-oxazole-4-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-1,2-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]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118538880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).