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

C30H20FN7O2 — CID 118538647

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

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 118538647) has the molecular formula C30H20FN7O2 and a molecular weight of 529.54 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
• PubChem CID: 118538647
• Molecular Formula: C30H20FN7O2
• Molecular Weight: 529.54 g/mol
• Exact Mass: 529.17
• IUPAC Name: N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2ccccc2)c1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1
• InChI: InChI=1S/C30H20FN7O2/c1-18-26(27(36-40-18)19-7-3-2-4-8-19)30(39)33-23-17-38-25(32-23)15-14-22(35-38)29-28(20-10-12-21(31)13-11-20)34-24-9-5-6-16-37(24)29/h2-17H,1H3,(H,33,39)
• InChIKey: LLCJQGGZSLHFFY-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 102.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.54
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 118538647) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1.

What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

The InChIKey is LLCJQGGZSLHFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FN7O2/c1-18-26(27(36-40-18)19-7-3-2-4-8-19)30(39)33-23-17-38-25(32-23)15-14-22(35-38)29-28(20-10-12-21(31)13-11-20)34-24-9-5-6-16-37(24)29/h2-17H,1H3,(H,33,39).

What are the key properties of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 529.54 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118538647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).