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

C26H21F8N5O2 — CID 177327933

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

4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene (PubChem CID 177327933) has the molecular formula C26H21F8N5O2 and a molecular weight of 587.47 g/mol. Its IUPAC name is 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene.

Molecular Properties

• Compound Name: 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene
• PubChem CID: 177327933
• Molecular Formula: C26H21F8N5O2
• Molecular Weight: 587.47 g/mol
• Exact Mass: 587.16
• IUPAC Name: 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene
• SMILES: Fc1cc(F)cc(F)c1.O=c1c(C2CCCCC2)cc(-c2nnc(C(F)F)o2)nn1Cc1ncccc1C(F)(F)F
• InChI: InChI=1S/C20H18F5N5O2.C6H3F3/c21-16(22)18-28-27-17(32-18)14-9-12(11-5-2-1-3-6-11)19(31)30(29-14)10-15-13(20(23,24)25)7-4-8-26-15;7-4-1-5(8)3-6(9)2-4/h4,7-9,11,16H,1-3,5-6,10H2;1-3H
• InChIKey: WTQPHDWDCIWGIY-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 86.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.47
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene (CID 177327933) is 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene.

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

The canonical SMILES for 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene is Fc1cc(F)cc(F)c1.O=c1c(C2CCCCC2)cc(-c2nnc(C(F)F)o2)nn1Cc1ncccc1C(F)(F)F.

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

The InChIKey is WTQPHDWDCIWGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F5N5O2.C6H3F3/c21-16(22)18-28-27-17(32-18)14-9-12(11-5-2-1-3-6-11)19(31)30(29-14)10-15-13(20(23,24)25)7-4-8-26-15;7-4-1-5(8)3-6(9)2-4/h4,7-9,11,16H,1-3,5-6,10H2;1-3H.

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

4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene has a molecular weight of 587.47 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene is sourced from PubChem (CID 177327933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).