2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide

C26H23F4N3O3 — CID 143701085

About 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide

2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide (PubChem CID 143701085) has the molecular formula C26H23F4N3O3 and a molecular weight of 501.48 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
• PubChem CID: 143701085
• Molecular Formula: C26H23F4N3O3
• Molecular Weight: 501.48 g/mol
• Exact Mass: 501.17
• IUPAC Name: 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
• SMILES: COc1cccc([C@@H](Oc2cc3cnn(-c4ccc(F)cc4)c3cc2C)C(C)NC(=O)C(F)(F)F)c1
• InChI: InChI=1S/C26H23F4N3O3/c1-15-11-22-18(14-31-33(22)20-9-7-19(27)8-10-20)13-23(15)36-24(16(2)32-25(34)26(28,29)30)17-5-4-6-21(12-17)35-3/h4-14,16,24H,1-3H3,(H,32,34)/t16?,24-/m0/s1
• InChIKey: XOGPSCMIWHWJLI-ODOSRFNGSA-N
• XLogP: 5.67
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.48
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide (CID 143701085) is 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide is COc1cccc([C@@H](Oc2cc3cnn(-c4ccc(F)cc4)c3cc2C)C(C)NC(=O)C(F)(F)F)c1.

What is the InChIKey of 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?

The InChIKey is XOGPSCMIWHWJLI-ODOSRFNGSA-N. The full InChI is InChI=1S/C26H23F4N3O3/c1-15-11-22-18(14-31-33(22)20-9-7-19(27)8-10-20)13-23(15)36-24(16(2)32-25(34)26(28,29)30)17-5-4-6-21(12-17)35-3/h4-14,16,24H,1-3H3,(H,32,34)/t16?,24-/m0/s1.

What are the key properties of 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?

2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide has a molecular weight of 501.48 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[(1R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 143701085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).