4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide

C28H28FN7O — CID 118537161

About 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide

4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (PubChem CID 118537161) has the molecular formula C28H28FN7O and a molecular weight of 497.58 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
• PubChem CID: 118537161
• Molecular Formula: C28H28FN7O
• Molecular Weight: 497.58 g/mol
• Exact Mass: 497.23
• IUPAC Name: 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
• SMILES: CCN(CC)Cc1ccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)cc1
• InChI: InChI=1S/C28H28FN7O/c1-4-35(5-2)16-19-6-8-21(9-7-19)28(37)31-25-18-36-26(30-25)15-14-24(32-36)23-17-34(3)33-27(23)20-10-12-22(29)13-11-20/h6-15,17-18H,4-5,16H2,1-3H3,(H,31,37)
• InChIKey: ZDCCKUOYPOOODR-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 80.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.58
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

The IUPAC name of 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (CID 118537161) is 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.

What is the SMILES notation for 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

The canonical SMILES for 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is CCN(CC)Cc1ccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)cc1.

What is the InChIKey of 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

The InChIKey is ZDCCKUOYPOOODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O/c1-4-35(5-2)16-19-6-8-21(9-7-19)28(37)31-25-18-36-26(30-25)15-14-24(32-36)23-17-34(3)33-27(23)20-10-12-22(29)13-11-20/h6-15,17-18H,4-5,16H2,1-3H3,(H,31,37).

What are the key properties of 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?

4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide has a molecular weight of 497.58 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylaminomethyl)-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is sourced from PubChem (CID 118537161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).