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

C23H18F4N8O2 — CID 174040197

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

6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 174040197) has the molecular formula C23H18F4N8O2 and a molecular weight of 514.44 g/mol. Its IUPAC name is 6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
• PubChem CID: 174040197
• Molecular Formula: C23H18F4N8O2
• Molecular Weight: 514.44 g/mol
• Exact Mass: 514.15
• IUPAC Name: 6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
• SMILES: COc1ncc(-c2cc([C@H]3C[C@H]3c3cnc4cnn(CC(F)(F)F)c4c3)c3ncc(F)n3n2)c(OC)n1
• InChI: InChI=1S/C23H18F4N8O2/c1-36-21-15(7-30-22(32-21)37-2)16-5-14(20-29-9-19(24)35(20)33-16)13-4-12(13)11-3-18-17(28-6-11)8-31-34(18)10-23(25,26)27/h3,5-9,12-13H,4,10H2,1-2H3/t12-,13-/m0/s1
• InChIKey: URWAXNHHZCZULD-STQMWFEESA-N
• XLogP: 3.92
• TPSA: 105.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.44
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine (CID 174040197) is 6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine.

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

The canonical SMILES for 6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine is COc1ncc(-c2cc([C@H]3C[C@H]3c3cnc4cnn(CC(F)(F)F)c4c3)c3ncc(F)n3n2)c(OC)n1.

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

The InChIKey is URWAXNHHZCZULD-STQMWFEESA-N. The full InChI is InChI=1S/C23H18F4N8O2/c1-36-21-15(7-30-22(32-21)37-2)16-5-14(20-29-9-19(24)35(20)33-16)13-4-12(13)11-3-18-17(28-6-11)8-31-34(18)10-23(25,26)27/h3,5-9,12-13H,4,10H2,1-2H3/t12-,13-/m0/s1.

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

6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 514.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 174040197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).