6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one

C25H19F4N5O4 — CID 162645895

About 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one

6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one (PubChem CID 162645895) has the molecular formula C25H19F4N5O4 and a molecular weight of 532.47 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one
• PubChem CID: 162645895
• Molecular Formula: C25H19F4N5O4
• Molecular Weight: 532.47 g/mol
• Exact Mass: 532.16
• IUPAC Name: 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one
• SMILES: [2H]C([2H])([2H])Oc1c2cc(-n3nc4ccc(OCC(F)F)nc4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2nn1C
• InChI: InChI=1S/C25H19F4N5O4/c1-33-24(36-2)16-11-14(5-8-17(16)31-33)34-23(35)21(13-3-6-15(7-4-13)38-25(28)29)22-18(32-34)9-10-20(30-22)37-12-19(26)27/h3-11,19,25H,12H2,1-2H3/i2D3
• InChIKey: KNLBVCXCQXXYIW-BMSJAHLVSA-N
• XLogP: 4.59
• TPSA: 93.29 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.47
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one?

The IUPAC name of 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one (CID 162645895) is 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one.

What is the SMILES notation for 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one?

The canonical SMILES for 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one is [2H]C([2H])([2H])Oc1c2cc(-n3nc4ccc(OCC(F)F)nc4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2nn1C.

What is the InChIKey of 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one?

The InChIKey is KNLBVCXCQXXYIW-BMSJAHLVSA-N. The full InChI is InChI=1S/C25H19F4N5O4/c1-33-24(36-2)16-11-14(5-8-17(16)31-33)34-23(35)21(13-3-6-15(7-4-13)38-25(28)29)22-18(32-34)9-10-20(30-22)37-12-19(26)27/h3-11,19,25H,12H2,1-2H3/i2D3.

What are the key properties of 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one?

6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one has a molecular weight of 532.47 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one is sourced from PubChem (CID 162645895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).