N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

C27H24F3N7O3S — CID 147585160

About N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 147585160) has the molecular formula C27H24F3N7O3S and a molecular weight of 583.60 g/mol. Its IUPAC name is N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
• PubChem CID: 147585160
• Molecular Formula: C27H24F3N7O3S
• Molecular Weight: 583.60 g/mol
• Exact Mass: 583.16
• IUPAC Name: N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
• SMILES: O=C(Cc1ccccn1)Cc1nnc(N2CCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1
• InChI: InChI=1S/C27H24F3N7O3S/c28-27(29,30)40-21-6-3-4-17(12-21)13-24(39)32-23-8-7-22(33-34-23)18-9-11-37(16-18)26-36-35-25(41-26)15-20(38)14-19-5-1-2-10-31-19/h1-8,10,12,18H,9,11,13-16H2,(H,32,34,39)
• InChIKey: FXEQYGQVQJXAGL-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 123.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.60
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?

The IUPAC name of N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 147585160) is N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

What is the SMILES notation for N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?

The canonical SMILES for N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccccn1)Cc1nnc(N2CCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1.

What is the InChIKey of N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?

The InChIKey is FXEQYGQVQJXAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N7O3S/c28-27(29,30)40-21-6-3-4-17(12-21)13-24(39)32-23-8-7-22(33-34-23)18-9-11-37(16-18)26-36-35-25(41-26)15-20(38)14-19-5-1-2-10-31-19/h1-8,10,12,18H,9,11,13-16H2,(H,32,34,39).

What are the key properties of N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?

N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 583.60 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 147585160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).