N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide

C30H29F3N4O3 — CID 68983696

About N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide

N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide (PubChem CID 68983696) has the molecular formula C30H29F3N4O3 and a molecular weight of 550.58 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide
• PubChem CID: 68983696
• Molecular Formula: C30H29F3N4O3
• Molecular Weight: 550.58 g/mol
• Exact Mass: 550.22
• IUPAC Name: N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide
• SMILES: COCCN(C)C(=O)Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(C)cc3)c2)C(F)(F)F)c2ccccc21
• InChI: InChI=1S/C30H29F3N4O3/c1-20-8-11-23(12-9-20)37-26-13-10-22(16-21(26)17-34-37)29(39,30(31,32)33)25-18-36(27-7-5-4-6-24(25)27)19-28(38)35(2)14-15-40-3/h4-13,16-18,39H,14-15,19H2,1-3H3
• InChIKey: UNONSVSCXRHORE-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 72.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.58
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide?

The IUPAC name of N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide (CID 68983696) is N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide.

What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide?

The canonical SMILES for N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide is COCCN(C)C(=O)Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(C)cc3)c2)C(F)(F)F)c2ccccc21.

What is the InChIKey of N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide?

The InChIKey is UNONSVSCXRHORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N4O3/c1-20-8-11-23(12-9-20)37-26-13-10-22(16-21(26)17-34-37)29(39,30(31,32)33)25-18-36(27-7-5-4-6-24(25)27)19-28(38)35(2)14-15-40-3/h4-13,16-18,39H,14-15,19H2,1-3H3.

What are the key properties of N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide?

N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide has a molecular weight of 550.58 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide is sourced from PubChem (CID 68983696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).