5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole

C24H22F5N7O2 — CID 157032829

About 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole

5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole (PubChem CID 157032829) has the molecular formula C24H22F5N7O2 and a molecular weight of 535.48 g/mol. Its IUPAC name is 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole.

Molecular Properties

• Compound Name: 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole
• PubChem CID: 157032829
• Molecular Formula: C24H22F5N7O2
• Molecular Weight: 535.48 g/mol
• Exact Mass: 535.18
• IUPAC Name: 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole
• SMILES: CC.Fc1nn(CC(F)(F)F)c2ccccc12.O=c1[nH]cc(-c2cc(C3CC3)c3ncc(F)n3n2)c(=O)[nH]1
• InChI: InChI=1S/C13H10FN5O2.C9H6F4N2.C2H6/c14-10-5-15-11-7(6-1-2-6)3-9(18-19(10)11)8-4-16-13(21)17-12(8)20;10-8-6-3-1-2-4-7(6)15(14-8)5-9(11,12)13;1-2/h3-6H,1-2H2,(H2,16,17,20,21);1-4H,5H2;1-2H3
• InChIKey: NQUPIYUVAMDTBX-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 113.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.48
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole?

The IUPAC name of 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole (CID 157032829) is 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole.

What is the SMILES notation for 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole?

The canonical SMILES for 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole is CC.Fc1nn(CC(F)(F)F)c2ccccc12.O=c1[nH]cc(-c2cc(C3CC3)c3ncc(F)n3n2)c(=O)[nH]1.

What is the InChIKey of 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole?

The InChIKey is NQUPIYUVAMDTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2.C9H6F4N2.C2H6/c14-10-5-15-11-7(6-1-2-6)3-9(18-19(10)11)8-4-16-13(21)17-12(8)20;10-8-6-3-1-2-4-7(6)15(14-8)5-9(11,12)13;1-2/h3-6H,1-2H2,(H2,16,17,20,21);1-4H,5H2;1-2H3.

What are the key properties of 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole?

5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole has a molecular weight of 535.48 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole is sourced from PubChem (CID 157032829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).