ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C83H64F12N12O7 — CID 157439210

About ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 157439210) has the molecular formula C83H64F12N12O7 and a molecular weight of 1569.48 g/mol. Its IUPAC name is ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

• Compound Name: ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
• PubChem CID: 157439210
• Molecular Formula: C83H64F12N12O7
• Molecular Weight: 1569.48 g/mol
• Exact Mass: 1568.48
• IUPAC Name: ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
• SMILES: CCO/C(CC)=N/C(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1Nc1cccnc1-c1ccc(C)cc1F.CCc1nc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc2n1-c1cccnc1-c1ccc(C)cc1F.Cc1ccc(-c2ncccc2Nc2ccc(Oc3ncccc3C(F)(F)F)cc2C(N)=O)c(F)c1
• InChI: InChI=1S/C30H26F4N4O3.C28H20F4N4O2.C25H18F4N4O2/c1-4-26(40-5-2)38-28(39)21-17-19(41-29-22(30(32,33)34)8-6-15-36-29)11-13-24(21)37-25-9-7-14-35-27(25)20-12-10-18(3)16-23(20)31;1-3-24-35-26(37)19-15-17(38-27-20(28(30,31)32)6-4-13-34-27)9-11-22(19)36(24)23-7-5-12-33-25(23)18-10-8-16(2)14-21(18)29;1-14-6-8-16(19(26)12-14)22-21(5-3-10-31-22)33-20-9-7-15(13-17(20)23(30)34)35-24-18(25(27,28)29)4-2-11-32-24/h6-17,37H,4-5H2,1-3H3;4-15H,3H2,1-2H3;2-13,33H,1H3,(H2,30,34)/b38-26+
• InChIKey: BRLUTCQYSUWCEU-JIDQQNAKSA-N
• XLogP: 21.04
• TPSA: 245.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1569.48
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?

The IUPAC name of ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 157439210) is ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

What is the SMILES notation for ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?

The canonical SMILES for ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is CCO/C(CC)=N/C(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1Nc1cccnc1-c1ccc(C)cc1F.CCc1nc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc2n1-c1cccnc1-c1ccc(C)cc1F.Cc1ccc(-c2ncccc2Nc2ccc(Oc3ncccc3C(F)(F)F)cc2C(N)=O)c(F)c1.

What is the InChIKey of ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?

The InChIKey is BRLUTCQYSUWCEU-JIDQQNAKSA-N. The full InChI is InChI=1S/C30H26F4N4O3.C28H20F4N4O2.C25H18F4N4O2/c1-4-26(40-5-2)38-28(39)21-17-19(41-29-22(30(32,33)34)8-6-15-36-29)11-13-24(21)37-25-9-7-14-35-27(25)20-12-10-18(3)16-23(20)31;1-3-24-35-26(37)19-15-17(38-27-20(28(30,31)32)6-4-13-34-27)9-11-22(19)36(24)23-7-5-12-33-25(23)18-10-8-16(2)14-21(18)29;1-14-6-8-16(19(26)12-14)22-21(5-3-10-31-22)33-20-9-7-15(13-17(20)23(30)34)35-24-18(25(27,28)29)4-2-11-32-24/h6-17,37H,4-5H2,1-3H3;4-15H,3H2,1-2H3;2-13,33H,1H3,(H2,30,34)/b38-26+;;.

What are the key properties of ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?

ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 1569.48 g/mol, XLogP of 21.04, 19 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 157439210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).