N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

C128H154F8N46O10 — CID 162117100

About N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide

N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 162117100) has the molecular formula C128H154F8N46O10 and a molecular weight of 2648.94 g/mol. Its IUPAC name is N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
• PubChem CID: 162117100
• Molecular Formula: C128H154F8N46O10
• Molecular Weight: 2648.94 g/mol
• Exact Mass: 2647.28
• IUPAC Name: N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
• SMILES: CN1CCN(Cc2ccc(Nc3ccnc(C(=O)NNc4ncc(F)c(N5CCN(CCO)CC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ccnc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(c2ccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)cc2)CC1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCNCC3)c(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCNCC3)cc2)cn1
• InChI: InChI=1S/C28H37FN10O2.C26H32FN9O2.C25H27F4N9O2.C25H30FN9O2.C24H28FN9O2/c1-36-8-10-38(11-9-36)20-21-2-4-22(5-3-21)32-23-6-7-30-25(18-23)27(41)34-35-28-31-19-24(29)26(33-28)39-14-12-37(13-15-39)16-17-40;1-34-8-10-35(11-9-34)18-19-2-4-20(5-3-19)30-21-6-7-28-23(16-21)25(37)32-33-26-29-17-22(27)24(31-26)36-12-14-38-15-13-36;26-19-15-32-24(34-22(19)38-9-11-40-12-10-38)36-35-23(39)20-3-1-17(14-31-20)33-16-2-4-21(18(13-16)25(27,28)29)37-7-5-30-6-8-37;1-33-8-10-34(11-9-33)20-5-2-18(3-6-20)29-19-4-7-22(27-16-19)24(36)31-32-25-28-17-21(26)23(30-25)35-12-14-37-15-13-35;25-20-16-28-24(30-22(20)34-11-13-36-14-12-34)32-31-23(35)21-6-3-18(15-27-21)29-17-1-4-19(5-2-17)33-9-7-26-8-10-33/h2-7,18-19,40H,8-17,20H2,1H3,(H,30,32)(H,34,41)(H,31,33,35);2-7,16-17H,8-15,18H2,1H3,(H,28,30)(H,32,37)(H,29,31,33);1-4,13-15,30,33H,5-12H2,(H,35,39)(H,32,34,36);2-7,16-17,29H,8-15H2,1H3,(H,31,36)(H,28,30,32);1-6,15-16,26,29H,7-14H2,(H,31,35)(H,28,30,32)
• InChIKey: ZGXJBQXYGQEXBI-UHFFFAOYSA-N
• XLogP: 10.10
• TPSA: 585.72 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 51
• Rotatable Bonds: 39
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2648.94
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?

The IUPAC name of N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (CID 162117100) is N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.

What is the SMILES notation for N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?

The canonical SMILES for N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is CN1CCN(Cc2ccc(Nc3ccnc(C(=O)NNc4ncc(F)c(N5CCN(CCO)CC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ccnc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(c2ccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)cc2)CC1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCNCC3)c(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(N3CCNCC3)cc2)cn1.

What is the InChIKey of N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?

The InChIKey is ZGXJBQXYGQEXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN10O2.C26H32FN9O2.C25H27F4N9O2.C25H30FN9O2.C24H28FN9O2/c1-36-8-10-38(11-9-36)20-21-2-4-22(5-3-21)32-23-6-7-30-25(18-23)27(41)34-35-28-31-19-24(29)26(33-28)39-14-12-37(13-15-39)16-17-40;1-34-8-10-35(11-9-34)18-19-2-4-20(5-3-19)30-21-6-7-28-23(16-21)25(37)32-33-26-29-17-22(27)24(31-26)36-12-14-38-15-13-36;26-19-15-32-24(34-22(19)38-9-11-40-12-10-38)36-35-23(39)20-3-1-17(14-31-20)33-16-2-4-21(18(13-16)25(27,28)29)37-7-5-30-6-8-37;1-33-8-10-34(11-9-33)20-5-2-18(3-6-20)29-19-4-7-22(27-16-19)24(36)31-32-25-28-17-21(26)23(30-25)35-12-14-37-15-13-35;25-20-16-28-24(30-22(20)34-11-13-36-14-12-34)32-31-23(35)21-6-3-18(15-27-21)29-17-1-4-19(5-2-17)33-9-7-26-8-10-33/h2-7,18-19,40H,8-17,20H2,1H3,(H,30,32)(H,34,41)(H,31,33,35);2-7,16-17H,8-15,18H2,1H3,(H,28,30)(H,32,37)(H,29,31,33);1-4,13-15,30,33H,5-12H2,(H,35,39)(H,32,34,36);2-7,16-17,29H,8-15H2,1H3,(H,31,36)(H,28,30,32);1-6,15-16,26,29H,7-14H2,(H,31,35)(H,28,30,32).

What are the key properties of N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide?

N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide has a molecular weight of 2648.94 g/mol, XLogP of 10.10, 39 rotatable bonds, 18 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 162117100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).