6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine

C25H26FN9O — CID 126607668

About 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine

6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine (PubChem CID 126607668) has the molecular formula C25H26FN9O and a molecular weight of 487.54 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

• Compound Name: 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine
• PubChem CID: 126607668
• Molecular Formula: C25H26FN9O
• Molecular Weight: 487.54 g/mol
• Exact Mass: 487.22
• IUPAC Name: 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine
• SMILES: CNc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3N3CCN(Cc4ccon4)CC3)ccc2n1
• InChI: InChI=1S/C25H26FN9O/c1-27-21-16-35-22(28-21)8-7-20(29-35)23-24(17-3-5-18(26)6-4-17)30-32(2)25(23)34-12-10-33(11-13-34)15-19-9-14-36-31-19/h3-9,14,16,27H,10-13,15H2,1-2H3
• InChIKey: XAJQMQRENJQFBB-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 92.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.54
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?

The IUPAC name of 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine (CID 126607668) is 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine.

What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?

The canonical SMILES for 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine is CNc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3N3CCN(Cc4ccon4)CC3)ccc2n1.

What is the InChIKey of 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?

The InChIKey is XAJQMQRENJQFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN9O/c1-27-21-16-35-22(28-21)8-7-20(29-35)23-24(17-3-5-18(26)6-4-17)30-32(2)25(23)34-12-10-33(11-13-34)15-19-9-14-36-31-19/h3-9,14,16,27H,10-13,15H2,1-2H3.

What are the key properties of 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?

6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine has a molecular weight of 487.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 126607668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).