5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone

C50H53F4N9O6 — CID 157103226

About 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone

5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone (PubChem CID 157103226) has the molecular formula C50H53F4N9O6 and a molecular weight of 952.02 g/mol. Its IUPAC name is 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone.

Molecular Properties

• Compound Name: 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone
• PubChem CID: 157103226
• Molecular Formula: C50H53F4N9O6
• Molecular Weight: 952.02 g/mol
• Exact Mass: 951.41
• IUPAC Name: 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone
• SMILES: CNC(=O)c1cc(F)ccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F.COc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2C(C)=O)c(C)cn1
• InChI: InChI=1S/C25H25F4N5O3.C25H28N4O3/c1-30-24(35)17-11-15(26)3-5-19(17)32-21-13-23(31-14-18(21)25(27,28)29)33-20-6-4-16(12-22(20)36-2)34-7-9-37-10-8-34;1-17-16-26-25(15-23(17)27-21-7-5-4-6-20(21)18(2)30)28-22-9-8-19(14-24(22)31-3)29-10-12-32-13-11-29/h3-6,11-14H,7-10H2,1-2H3,(H,30,35)(H2,31,32,33);4-9,14-16H,10-13H2,1-3H3,(H2,26,27,28)
• InChIKey: AFZVUJNKRDHIQO-UHFFFAOYSA-N
• XLogP: 9.86
• TPSA: 163.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	952.02
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone?

The IUPAC name of 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone (CID 157103226) is 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone.

What is the SMILES notation for 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone?

The canonical SMILES for 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone is CNC(=O)c1cc(F)ccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F.COc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2C(C)=O)c(C)cn1.

What is the InChIKey of 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone?

The InChIKey is AFZVUJNKRDHIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N5O3.C25H28N4O3/c1-30-24(35)17-11-15(26)3-5-19(17)32-21-13-23(31-14-18(21)25(27,28)29)33-20-6-4-16(12-22(20)36-2)34-7-9-37-10-8-34;1-17-16-26-25(15-23(17)27-21-7-5-4-6-20(21)18(2)30)28-22-9-8-19(14-24(22)31-3)29-10-12-32-13-11-29/h3-6,11-14H,7-10H2,1-2H3,(H,30,35)(H2,31,32,33);4-9,14-16H,10-13H2,1-3H3,(H2,26,27,28).

What are the key properties of 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone?

5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone has a molecular weight of 952.02 g/mol, XLogP of 9.86, 14 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone is sourced from PubChem (CID 157103226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).