N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride

C28H22ClF6N5O3 — CID 86628813

About N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride

N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride (PubChem CID 86628813) has the molecular formula C28H22ClF6N5O3 and a molecular weight of 625.96 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride
• PubChem CID: 86628813
• Molecular Formula: C28H22ClF6N5O3
• Molecular Weight: 625.96 g/mol
• Exact Mass: 625.13
• IUPAC Name: N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride
• SMILES: CC(Oc1ccc(-c2nc(-c3cccc4c3ccn4CC(=O)NCc3ccccn3)no2)cc1C(F)(F)F)C(F)(F)F.Cl
• InChI: InChI=1S/C28H21F6N5O3.ClH/c1-16(27(29,30)31)41-23-9-8-17(13-21(23)28(32,33)34)26-37-25(38-42-26)20-6-4-7-22-19(20)10-12-39(22)15-24(40)36-14-18-5-2-3-11-35-18;/h2-13,16H,14-15H2,1H3,(H,36,40);1H
• InChIKey: REYAWWHSLZTZHM-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.96
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride?

The IUPAC name of N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride (CID 86628813) is N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride.

What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride?

The canonical SMILES for N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride is CC(Oc1ccc(-c2nc(-c3cccc4c3ccn4CC(=O)NCc3ccccn3)no2)cc1C(F)(F)F)C(F)(F)F.Cl.

What is the InChIKey of N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride?

The InChIKey is REYAWWHSLZTZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F6N5O3.ClH/c1-16(27(29,30)31)41-23-9-8-17(13-21(23)28(32,33)34)26-37-25(38-42-26)20-6-4-7-22-19(20)10-12-39(22)15-24(40)36-14-18-5-2-3-11-35-18;/h2-13,16H,14-15H2,1H3,(H,36,40);1H.

What are the key properties of N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride?

N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride has a molecular weight of 625.96 g/mol, XLogP of 6.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(pyridin-2-ylmethyl)-2-[4-[5-[3-(trifluoromethyl)-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 86628813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).