6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine

C24H19F4N7O2 — CID 157034619

About 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine

6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 157034619) has the molecular formula C24H19F4N7O2 and a molecular weight of 513.46 g/mol. Its IUPAC name is 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
• PubChem CID: 157034619
• Molecular Formula: C24H19F4N7O2
• Molecular Weight: 513.46 g/mol
• Exact Mass: 513.15
• IUPAC Name: 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
• SMILES: COc1ncc(-c2cc([C@@H]3C[C@H]3c3ccc4c(F)nn(CC(F)(F)F)c4c3)c3nccn3n2)c(OC)n1
• InChI: InChI=1S/C24H19F4N7O2/c1-36-22-17(10-30-23(31-22)37-2)18-9-16(21-29-5-6-34(21)32-18)15-8-14(15)12-3-4-13-19(7-12)35(33-20(13)25)11-24(26,27)28/h3-7,9-10,14-15H,8,11H2,1-2H3/t14-,15+/m0/s1
• InChIKey: HXINCVCTGUKDEA-LSDHHAIUSA-N
• XLogP: 4.53
• TPSA: 92.25 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.46
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?

The IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine (CID 157034619) is 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?

The canonical SMILES for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine is COc1ncc(-c2cc([C@@H]3C[C@H]3c3ccc4c(F)nn(CC(F)(F)F)c4c3)c3nccn3n2)c(OC)n1.

What is the InChIKey of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?

The InChIKey is HXINCVCTGUKDEA-LSDHHAIUSA-N. The full InChI is InChI=1S/C24H19F4N7O2/c1-36-22-17(10-30-23(31-22)37-2)18-9-16(21-29-5-6-34(21)32-18)15-8-14(15)12-3-4-13-19(7-12)35(33-20(13)25)11-24(26,27)28/h3-7,9-10,14-15H,8,11H2,1-2H3/t14-,15+/m0/s1.

What are the key properties of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?

6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 513.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157034619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).