2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

C26H29ClF4N4O4 — CID 25161094

About 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 25161094) has the molecular formula C26H29ClF4N4O4 and a molecular weight of 572.99 g/mol. Its IUPAC name is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 25161094
• Molecular Formula: C26H29ClF4N4O4
• Molecular Weight: 572.99 g/mol
• Exact Mass: 572.18
• IUPAC Name: 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
• SMILES: CN1CCC(COC(C(=O)N(C)C)c2cc(Cl)cc3cn[nH]c23)(c2ccc(F)cc2)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H28ClFN4O2.C2HF3O2/c1-29(2)23(31)22(20-13-18(25)12-16-14-27-28-21(16)20)32-15-24(8-10-30(3)11-9-24)17-4-6-19(26)7-5-17;3-2(4,5)1(6)7/h4-7,12-14,22H,8-11,15H2,1-3H3,(H,27,28);(H,6,7)
• InChIKey: FDAKZATTZYMDCE-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 98.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.99
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (CID 25161094) is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is CN1CCC(COC(C(=O)N(C)C)c2cc(Cl)cc3cn[nH]c23)(c2ccc(F)cc2)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?

The InChIKey is FDAKZATTZYMDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O2.C2HF3O2/c1-29(2)23(31)22(20-13-18(25)12-16-14-27-28-21(16)20)32-15-24(8-10-30(3)11-9-24)17-4-6-19(26)7-5-17;3-2(4,5)1(6)7/h4-7,12-14,22H,8-11,15H2,1-3H3,(H,27,28);(H,6,7).

What are the key properties of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?

2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 572.99 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25161094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).