1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

C45H44ClF6N11O2 — CID 161268703

About 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 161268703) has the molecular formula C45H44ClF6N11O2 and a molecular weight of 920.36 g/mol. Its IUPAC name is 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

• Compound Name: 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
• PubChem CID: 161268703
• Molecular Formula: C45H44ClF6N11O2
• Molecular Weight: 920.36 g/mol
• Exact Mass: 919.33
• IUPAC Name: 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
• SMILES: Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccnn4C)nn23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Cl)nn23)ccc1C(=O)CC1CC1
• InChI: InChI=1S/C24H24F3N7O.C21H20ClF3N4O/c1-14-11-15(3-6-17(14)23(35)31-16-4-5-16)21-13-29-22-19(28-10-8-24(25,26)27)12-18(32-34(21)22)20-7-9-30-33(20)2;1-12-8-14(4-5-15(12)18(30)9-13-2-3-13)17-11-27-20-16(10-19(22)28-29(17)20)26-7-6-21(23,24)25/h3,6-7,9,11-13,16,28H,4-5,8,10H2,1-2H3,(H,31,35);4-5,8,10-11,13,26H,2-3,6-7,9H2,1H3
• InChIKey: VDNJHPQQIROJMO-UHFFFAOYSA-N
• XLogP: 10.07
• TPSA: 148.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	920.36
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?

The IUPAC name of 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 161268703) is 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.

What is the SMILES notation for 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?

The canonical SMILES for 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccnn4C)nn23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Cl)nn23)ccc1C(=O)CC1CC1.

What is the InChIKey of 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?

The InChIKey is VDNJHPQQIROJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O.C21H20ClF3N4O/c1-14-11-15(3-6-17(14)23(35)31-16-4-5-16)21-13-29-22-19(28-10-8-24(25,26)27)12-18(32-34(21)22)20-7-9-30-33(20)2;1-12-8-14(4-5-15(12)18(30)9-13-2-3-13)17-11-27-20-16(10-19(22)28-29(17)20)26-7-6-21(23,24)25/h3,6-7,9,11-13,16,28H,4-5,8,10H2,1-2H3,(H,31,35);4-5,8,10-11,13,26H,2-3,6-7,9H2,1H3.

What are the key properties of 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?

1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 920.36 g/mol, XLogP of 10.07, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone;N-cyclopropyl-2-methyl-4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 161268703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).