5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide

C25H23F3N6O3 — CID 155074094

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 155074094) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide
• PubChem CID: 155074094
• Molecular Formula: C25H23F3N6O3
• Molecular Weight: 512.49 g/mol
• Exact Mass: 512.18
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cccc(OCC(F)(F)F)c4)c(C)nc3C)ccc2n1
• InChI: InChI=1S/C25H23F3N6O3/c1-14-19(21-7-8-23-32-22(31-16(3)35)12-34(23)33-21)10-20(15(2)30-14)24(36)29-11-17-5-4-6-18(9-17)37-13-25(26,27)28/h4-10,12H,11,13H2,1-3H3,(H,29,36)(H,31,35)
• InChIKey: DZGDSEZMBOYTCD-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.49
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 155074094) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cccc(OCC(F)(F)F)c4)c(C)nc3C)ccc2n1.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?

The InChIKey is DZGDSEZMBOYTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3/c1-14-19(21-7-8-23-32-22(31-16(3)35)12-34(23)33-21)10-20(15(2)30-14)24(36)29-11-17-5-4-6-18(9-17)37-13-25(26,27)28/h4-10,12H,11,13H2,1-3H3,(H,29,36)(H,31,35).

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 512.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155074094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).