2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

C91H88F16N26O9 — CID 159215215

IUPAC2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESCCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.COc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.Cc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H24F4N6O2.C23H22F4N6O2.C22H21F4N7O3.C22H21F4N7O2/c1-2-15-12-18(30-17-5-3-4-16(13-17)24(26,27)28)6-7-19(15)22(35)32-33-23-29-14-20(25)21(31-23)34-8-10-36-11-9-34;1-14-11-17(29-16-4-2-3-15(12-16)23(25,26)27)5-6-18(14)21(34)31-32-22-28-13-19(24)20(30-22)33-7-9-35-10-8-33;1-35-20-17(28-14-4-2-3-13(11-14)22(24,25)26)6-5-16(29-20)19(34)31-32-21-27-12-15(23)18(30-21)33-7-9-36-10-8-33;1-13-17(29-15-4-2-3-14(11-15)22(24,25)26)5-6-18(28-13)20(34)31-32-21-27-12-16(23)19(30-21)33-7-9-35-10-8-33/h3-7,12-14,30H,2,8-11H2,1H3,(H,32,35)(H,29,31,33);2-6,11-13,29H,7-10H2,1H3,(H,31,34)(H,28,30,32);2-6,11-12,28H,7-10H2,1H3,(H,31,34)(H,27,30,32);2-6,11-12,29H,7-10H2,1H3,(H,31,34)(H,27,30,32)
InChIKeyKQZBOJYQRQCXBW-UHFFFAOYSA-N
MW1993.85 g/mol
LogP15.86
Rot. Bonds26

About 2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 159215215) has the molecular formula C91H88F16N26O9 and a molecular weight of 1993.85 g/mol. Its IUPAC name is 2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
PubChem CID159215215
Molecular FormulaC91H88F16N26O9
Molecular Weight1993.85 g/mol
Exact Mass1992.70
IUPAC Name2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
SMILESCCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.COc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.Cc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H24F4N6O2.C23H22F4N6O2.C22H21F4N7O3.C22H21F4N7O2/c1-2-15-12-18(30-17-5-3-4-16(13-17)24(26,27)28)6-7-19(15)22(35)32-33-23-29-14-20(25)21(31-23)34-8-10-36-11-9-34;1-14-11-17(29-16-4-2-3-15(12-16)23(25,26)27)5-6-18(14)21(34)31-32-22-28-13-19(24)20(30-22)33-7-9-35-10-8-33;1-35-20-17(28-14-4-2-3-13(11-14)22(24,25)26)6-5-16(29-20)19(34)31-32-21-27-12-15(23)18(30-21)33-7-9-36-10-8-33;1-13-17(29-15-4-2-3-14(11-15)22(24,25)26)5-6-18(28-13)20(34)31-32-21-27-12-16(23)19(30-21)33-7-9-35-10-8-33/h3-7,12-14,30H,2,8-11H2,1H3,(H,32,35)(H,29,31,33);2-6,11-13,29H,7-10H2,1H3,(H,31,34)(H,28,30,32);2-6,11-12,28H,7-10H2,1H3,(H,31,34)(H,27,30,32);2-6,11-12,29H,7-10H2,1H3,(H,31,34)(H,27,30,32)
InChIKeyKQZBOJYQRQCXBW-UHFFFAOYSA-N
XLogP15.86
TPSA400.65 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001993.85
LogP ≤ 515.86
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The IUPAC name of 2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (CID 159215215) is 2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
What is the SMILES notation for 2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The canonical SMILES for 2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.COc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.Cc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
The InChIKey is KQZBOJYQRQCXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N6O2.C23H22F4N6O2.C22H21F4N7O3.C22H21F4N7O2/c1-2-15-12-18(30-17-5-3-4-16(13-17)24(26,27)28)6-7-19(15)22(35)32-33-23-29-14-20(25)21(31-23)34-8-10-36-11-9-34;1-14-11-17(29-16-4-2-3-15(12-16)23(25,26)27)5-6-18(14)21(34)31-32-22-28-13-19(24)20(30-22)33-7-9-35-10-8-33;1-35-20-17(28-14-4-2-3-13(11-14)22(24,25)26)6-5-16(29-20)19(34)31-32-21-27-12-15(23)18(30-21)33-7-9-36-10-8-33;1-13-17(29-15-4-2-3-14(11-15)22(24,25)26)5-6-18(28-13)20(34)31-32-21-27-12-16(23)19(30-21)33-7-9-35-10-8-33/h3-7,12-14,30H,2,8-11H2,1H3,(H,32,35)(H,29,31,33);2-6,11-13,29H,7-10H2,1H3,(H,31,34)(H,28,30,32);2-6,11-12,28H,7-10H2,1H3,(H,31,34)(H,27,30,32);2-6,11-12,29H,7-10H2,1H3,(H,31,34)(H,27,30,32).
What are the key properties of 2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?
2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 1993.85 g/mol, XLogP of 15.86, 26 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methyl-4-[3-(trifluoromethyl)anilino]benzohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methyl-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 159215215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).