N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide

C105H90F12N36O6 — CID 159153035

About N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide

N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (PubChem CID 159153035) has the molecular formula C105H90F12N36O6 and a molecular weight of 2180.10 g/mol. Its IUPAC name is N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
• PubChem CID: 159153035
• Molecular Formula: C105H90F12N36O6
• Molecular Weight: 2180.10 g/mol
• Exact Mass: 2178.77
• IUPAC Name: N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
• SMILES: C.Cc1cn(-c2cc(Nc3ccc(C(=O)NNc4nc(C)cc(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(C(=O)NNc4ncc(F)c(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(O)cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.Cc1cncc(-c2nc(NNC(=O)c3ccc(Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cn3)ncc2F)c1
• InChI: InChI=1S/C27H21F4N9O.C27H22F3N9O.C26H19F4N9O.C24H24FN9O3.CH4/c1-15-5-17(10-32-9-15)24-22(28)12-34-26(37-24)39-38-25(41)23-4-3-19(11-33-23)36-20-6-18(27(29,30)31)7-21(8-20)40-13-16(2)35-14-40;1-16-8-24(18-4-3-7-31-12-18)36-26(34-16)38-37-25(40)23-6-5-20(13-32-23)35-21-9-19(27(28,29)30)10-22(11-21)39-14-17(2)33-15-39;1-15-13-39(14-34-15)20-8-17(26(28,29)30)7-19(9-20)35-18-4-5-22(32-11-18)24(40)37-38-25-33-12-21(27)23(36-25)16-3-2-6-31-10-16;1-15-13-34(14-28-15)18-8-17(9-19(35)10-18)29-16-2-3-21(26-11-16)23(36)31-32-24-27-12-20(25)22(30-24)33-4-6-37-7-5-33;/h3-14,36H,1-2H3,(H,38,41)(H,34,37,39);3-15,35H,1-2H3,(H,37,40)(H,34,36,38);2-14,35H,1H3,(H,37,40)(H,33,36,38);2-3,8-14,29,35H,4-7H2,1H3,(H,31,36)(H,27,30,32);1H4
• InChIKey: KJNUCITTWPFIBO-UHFFFAOYSA-N
• XLogP: 18.92
• TPSA: 509.97 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2180.10
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?

The IUPAC name of N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (CID 159153035) is N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.

What is the SMILES notation for N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?

The canonical SMILES for N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is C.Cc1cn(-c2cc(Nc3ccc(C(=O)NNc4nc(C)cc(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(C(=O)NNc4ncc(F)c(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(O)cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.Cc1cncc(-c2nc(NNC(=O)c3ccc(Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cn3)ncc2F)c1.

What is the InChIKey of N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?

The InChIKey is KJNUCITTWPFIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F4N9O.C27H22F3N9O.C26H19F4N9O.C24H24FN9O3.CH4/c1-15-5-17(10-32-9-15)24-22(28)12-34-26(37-24)39-38-25(41)23-4-3-19(11-33-23)36-20-6-18(27(29,30)31)7-21(8-20)40-13-16(2)35-14-40;1-16-8-24(18-4-3-7-31-12-18)36-26(34-16)38-37-25(40)23-6-5-20(13-32-23)35-21-9-19(27(28,29)30)10-22(11-21)39-14-17(2)33-15-39;1-15-13-39(14-34-15)20-8-17(26(28,29)30)7-19(9-20)35-18-4-5-22(32-11-18)24(40)37-38-25-33-12-21(27)23(36-25)16-3-2-6-31-10-16;1-15-13-34(14-28-15)18-8-17(9-19(35)10-18)29-16-2-3-21(26-11-16)23(36)31-32-24-27-12-20(25)22(30-24)33-4-6-37-7-5-33;/h3-14,36H,1-2H3,(H,38,41)(H,34,37,39);3-15,35H,1-2H3,(H,37,40)(H,34,36,38);2-14,35H,1H3,(H,37,40)(H,33,36,38);2-3,8-14,29,35H,4-7H2,1H3,(H,31,36)(H,27,30,32);1H4.

What are the key properties of N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?

N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide has a molecular weight of 2180.10 g/mol, XLogP of 18.92, 28 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 159153035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).