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

C26H22F7N5O2 — CID 177327613

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

4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3-difluorobenzene (PubChem CID 177327613) has the molecular formula C26H22F7N5O2 and a molecular weight of 569.48 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-difluorobenzene.

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-difluorobenzene
• PubChem CID: 177327613
• Molecular Formula: C26H22F7N5O2
• Molecular Weight: 569.48 g/mol
• Exact Mass: 569.17
• IUPAC Name: 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3-difluorobenzene
• SMILES: Fc1cccc(F)c1.O=c1c(C2CCCCC2)cc(-c2nnc(C(F)F)o2)nn1Cc1ncccc1C(F)(F)F
• InChI: InChI=1S/C20H18F5N5O2.C6H4F2/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;7-5-2-1-3-6(8)4-5/h4,7-9,11,16H,1-3,5-6,10H2;1-4H
• InChIKey: HHHSNMKPSDRHAJ-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 86.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.48
LogP ≤ 5	6.71
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-difluorobenzene?

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-difluorobenzene (CID 177327613) is 4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3-difluorobenzene.

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-difluorobenzene?

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-difluorobenzene is Fc1cccc(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-difluorobenzene?

The InChIKey is HHHSNMKPSDRHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F5N5O2.C6H4F2/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;7-5-2-1-3-6(8)4-5/h4,7-9,11,16H,1-3,5-6,10H2;1-4H.

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-difluorobenzene?

4-cyclohexyl-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3-difluorobenzene has a molecular weight of 569.48 g/mol, XLogP of 6.71, 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-difluorobenzene is sourced from PubChem (CID 177327613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).