N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

C27H25F3N8O4S — CID 121256470

About N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 121256470) has the molecular formula C27H25F3N8O4S and a molecular weight of 614.61 g/mol. Its IUPAC name is N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
• PubChem CID: 121256470
• Molecular Formula: C27H25F3N8O4S
• Molecular Weight: 614.61 g/mol
• Exact Mass: 614.17
• IUPAC Name: N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
• SMILES: O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(OC2CCN(c3nnc(NC(=O)Cc4ccccn4)s3)CC2)nn1
• InChI: InChI=1S/C27H25F3N8O4S/c28-27(29,30)42-20-6-3-4-17(14-20)15-22(39)32-21-7-8-24(35-34-21)41-19-9-12-38(13-10-19)26-37-36-25(43-26)33-23(40)16-18-5-1-2-11-31-18/h1-8,11,14,19H,9-10,12-13,15-16H2,(H,32,34,39)(H,33,36,40)
• InChIKey: WYEKNXQWMGLXPM-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 144.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.61
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?

The IUPAC name of N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 121256470) is N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

What is the SMILES notation for N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?

The canonical SMILES for N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(OC2CCN(c3nnc(NC(=O)Cc4ccccn4)s3)CC2)nn1.

What is the InChIKey of N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?

The InChIKey is WYEKNXQWMGLXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N8O4S/c28-27(29,30)42-20-6-3-4-17(14-20)15-22(39)32-21-7-8-24(35-34-21)41-19-9-12-38(13-10-19)26-37-36-25(43-26)33-23(40)16-18-5-1-2-11-31-18/h1-8,11,14,19H,9-10,12-13,15-16H2,(H,32,34,39)(H,33,36,40).

What are the key properties of N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?

N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 614.61 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 121256470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).