morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone

C32H23F6N3O3 — CID 87239381

About morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone

morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone (PubChem CID 87239381) has the molecular formula C32H23F6N3O3 and a molecular weight of 611.54 g/mol. Its IUPAC name is morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone.

Molecular Properties

• Compound Name: morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone
• PubChem CID: 87239381
• Molecular Formula: C32H23F6N3O3
• Molecular Weight: 611.54 g/mol
• Exact Mass: 611.16
• IUPAC Name: morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone
• SMILES: O=C(c1cccc(Oc2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3c(F)cc(F)cc3F)cc2)c1)N1CCOCC1
• InChI: InChI=1S/C32H23F6N3O3/c33-21-16-27(34)25(28(35)17-21)18-41-30(24-5-2-6-26(29(24)39-41)32(36,37)38)19-7-9-22(10-8-19)44-23-4-1-3-20(15-23)31(42)40-11-13-43-14-12-40/h1-10,15-17H,11-14,18H2
• InChIKey: GUJUXBZJRQWKTL-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 56.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.54
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone?

The IUPAC name of morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone (CID 87239381) is morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone.

What is the SMILES notation for morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone?

The canonical SMILES for morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone is O=C(c1cccc(Oc2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3c(F)cc(F)cc3F)cc2)c1)N1CCOCC1.

What is the InChIKey of morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone?

The InChIKey is GUJUXBZJRQWKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F6N3O3/c33-21-16-27(34)25(28(35)17-21)18-41-30(24-5-2-6-26(29(24)39-41)32(36,37)38)19-7-9-22(10-8-19)44-23-4-1-3-20(15-23)31(42)40-11-13-43-14-12-40/h1-10,15-17H,11-14,18H2.

What are the key properties of morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone?

morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone has a molecular weight of 611.54 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for morpholin-4-yl-[3-[4-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenoxy]phenyl]methanone is sourced from PubChem (CID 87239381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).