2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C23H21F6N5O3 — CID 147912054

About 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 147912054) has the molecular formula C23H21F6N5O3 and a molecular weight of 529.44 g/mol. Its IUPAC name is 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
• PubChem CID: 147912054
• Molecular Formula: C23H21F6N5O3
• Molecular Weight: 529.44 g/mol
• Exact Mass: 529.15
• IUPAC Name: 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
• SMILES: CN1CCN(C(=O)Cn2cc3cc(CC(=O)c4cccc(C(F)(F)F)n4)c(OC(F)(F)F)cc3n2)CC1
• InChI: InChI=1S/C23H21F6N5O3/c1-32-5-7-33(8-6-32)21(36)13-34-12-15-9-14(19(11-17(15)31-34)37-23(27,28)29)10-18(35)16-3-2-4-20(30-16)22(24,25)26/h2-4,9,11-12H,5-8,10,13H2,1H3
• InChIKey: IGIDYRRDNNRPDC-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 80.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.44
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?

The IUPAC name of 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 147912054) is 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

What is the SMILES notation for 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?

The canonical SMILES for 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is CN1CCN(C(=O)Cn2cc3cc(CC(=O)c4cccc(C(F)(F)F)n4)c(OC(F)(F)F)cc3n2)CC1.

What is the InChIKey of 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?

The InChIKey is IGIDYRRDNNRPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F6N5O3/c1-32-5-7-33(8-6-32)21(36)13-34-12-15-9-14(19(11-17(15)31-34)37-23(27,28)29)10-18(35)16-3-2-4-20(30-16)22(24,25)26/h2-4,9,11-12H,5-8,10,13H2,1H3.

What are the key properties of 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?

2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 529.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 147912054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).