6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one

C26H20F7N5O2 — CID 177328175

About 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one

6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one (PubChem CID 177328175) has the molecular formula C26H20F7N5O2 and a molecular weight of 567.47 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
• PubChem CID: 177328175
• Molecular Formula: C26H20F7N5O2
• Molecular Weight: 567.47 g/mol
• Exact Mass: 567.15
• IUPAC Name: 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
• SMILES: O=c1c(C2CCC(c3c(F)cccc3F)CC2)cc(-c2nnc(C(F)F)o2)nn1Cc1ncccc1C(F)(F)F
• InChI: InChI=1S/C26H20F7N5O2/c27-17-4-1-5-18(28)21(17)14-8-6-13(7-9-14)15-11-19(23-35-36-24(40-23)22(29)30)37-38(25(15)39)12-20-16(26(31,32)33)3-2-10-34-20/h1-5,10-11,13-14,22H,6-9,12H2
• InChIKey: DAOGLBGSCQEZCE-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 86.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.47
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one?

The IUPAC name of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one (CID 177328175) is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one.

What is the SMILES notation for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one?

The canonical SMILES for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one is O=c1c(C2CCC(c3c(F)cccc3F)CC2)cc(-c2nnc(C(F)F)o2)nn1Cc1ncccc1C(F)(F)F.

What is the InChIKey of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one?

The InChIKey is DAOGLBGSCQEZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F7N5O2/c27-17-4-1-5-18(28)21(17)14-8-6-13(7-9-14)15-11-19(23-35-36-24(40-23)22(29)30)37-38(25(15)39)12-20-16(26(31,32)33)3-2-10-34-20/h1-5,10-11,13-14,22H,6-9,12H2.

What are the key properties of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one?

6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one has a molecular weight of 567.47 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-4-[4-(2,6-difluorophenyl)cyclohexyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one is sourced from PubChem (CID 177328175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).