5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one

C19H15F3N6O — CID 91801791

About 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one

5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one (PubChem CID 91801791) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one
• PubChem CID: 91801791
• Molecular Formula: C19H15F3N6O
• Molecular Weight: 400.36 g/mol
• Exact Mass: 400.13
• IUPAC Name: 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one
• SMILES: CCn1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1=O
• InChI: InChI=1S/C19H15F3N6O/c1-2-27-10-11(3-6-17(27)29)14-4-5-16-24-9-15(28(16)26-14)12-7-13(19(20,21)22)18(23)25-8-12/h3-10H,2H2,1H3,(H2,23,25)
• InChIKey: BCBQEJSQRQEKEF-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 91.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.36
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one?

The IUPAC name of 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one (CID 91801791) is 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one.

What is the SMILES notation for 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one?

The canonical SMILES for 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one is CCn1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1=O.

What is the InChIKey of 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one?

The InChIKey is BCBQEJSQRQEKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-2-27-10-11(3-6-17(27)29)14-4-5-16-24-9-15(28(16)26-14)12-7-13(19(20,21)22)18(23)25-8-12/h3-10H,2H2,1H3,(H2,23,25).

What are the key properties of 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one?

5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one has a molecular weight of 400.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one is sourced from PubChem (CID 91801791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).