5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one

C20H18F5N5O3 — CID 146272775

About 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one

5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one (PubChem CID 146272775) has the molecular formula C20H18F5N5O3 and a molecular weight of 471.39 g/mol. Its IUPAC name is 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one
• PubChem CID: 146272775
• Molecular Formula: C20H18F5N5O3
• Molecular Weight: 471.39 g/mol
• Exact Mass: 471.13
• IUPAC Name: 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one
• SMILES: Cc1onc(-c2ccc(C(F)(F)F)nc2)c1Cn1ncc(N2CC(OCC(F)F)C2)cc1=O
• InChI: InChI=1S/C20H18F5N5O3/c1-11-15(19(28-33-11)12-2-3-16(26-5-12)20(23,24)25)9-30-18(31)4-13(6-27-30)29-7-14(8-29)32-10-17(21)22/h2-6,14,17H,7-10H2,1H3
• InChIKey: NCQZJTAWACOMGC-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 86.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.39
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one?

The IUPAC name of 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one (CID 146272775) is 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one.

What is the SMILES notation for 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one?

The canonical SMILES for 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one is Cc1onc(-c2ccc(C(F)(F)F)nc2)c1Cn1ncc(N2CC(OCC(F)F)C2)cc1=O.

What is the InChIKey of 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one?

The InChIKey is NCQZJTAWACOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F5N5O3/c1-11-15(19(28-33-11)12-2-3-16(26-5-12)20(23,24)25)9-30-18(31)4-13(6-27-30)29-7-14(8-29)32-10-17(21)22/h2-6,14,17H,7-10H2,1H3.

What are the key properties of 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one?

5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 471.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 146272775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).