3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide

C131H147Cl5F11N37O15 — CID 159015299

About 3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide

3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide (PubChem CID 159015299) has the molecular formula C131H147Cl5F11N37O15 and a molecular weight of 2866.10 g/mol. Its IUPAC name is 3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide.

Molecular Properties

• Compound Name: 3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide
• PubChem CID: 159015299
• Molecular Formula: C131H147Cl5F11N37O15
• Molecular Weight: 2866.10 g/mol
• Exact Mass: 2862.01
• IUPAC Name: 3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide
• SMILES: CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(C(=O)NNc4ncc(F)c(N5CCN(CCO)CC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccc(C(=O)NNc4ncc(F)c(N5CCN(CCO)CC5)n4)c(O)c3Cl)cc2)CC1.CN1CCN(Cc2ccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCN(CCO)CC5)n4)c(O)c3Cl)cc2)CC1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Nc2cccc(C(F)(F)F)c2)cc(Cl)c1O.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(C(F)(F)F)c2)c(Cl)c1O
• InChI: InChI=1S/C29H37ClFN9O3.2C29H36ClFN8O3.2C22H19ClF4N6O3/c1-37-8-10-39(11-9-37)19-20-2-4-21(5-3-20)33-24-7-6-22(26(42)25(24)30)28(43)35-36-29-32-18-23(31)27(34-29)40-14-12-38(13-15-40)16-17-41;1-36-6-8-38(9-7-36)19-20-2-4-21(5-3-20)22-16-23(26(41)24(30)17-22)28(42)34-35-29-32-18-25(31)27(33-29)39-12-10-37(11-13-39)14-15-40;1-36-8-10-38(11-9-36)19-20-2-4-21(5-3-20)22-6-7-23(26(41)25(22)30)28(42)34-35-29-32-18-24(31)27(33-29)39-14-12-37(13-15-39)16-17-40;23-16-10-14(29-13-3-1-2-12(8-13)22(25,26)27)9-15(18(16)34)20(35)31-32-21-28-11-17(24)19(30-21)33-4-6-36-7-5-33;23-17-16(29-13-3-1-2-12(10-13)22(25,26)27)5-4-14(18(17)34)20(35)31-32-21-28-11-15(24)19(30-21)33-6-8-36-9-7-33/h2-7,18,33,41-42H,8-17,19H2,1H3,(H,35,43)(H,32,34,36);2-5,16-18,40-41H,6-15,19H2,1H3,(H,34,42)(H,32,33,35);2-7,18,40-41H,8-17,19H2,1H3,(H,34,42)(H,32,33,35);1-3,8-11,29,34H,4-7H2,(H,31,35)(H,28,30,32);1-5,10-11,29,34H,6-9H2,(H,31,35)(H,28,30,32)
• InChIKey: JSZXHUVJZSPVTI-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 596.30 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 47
• Rotatable Bonds: 40
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2866.10
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide (CID 159015299) is 3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide.

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

The canonical SMILES for 3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide is CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(C(=O)NNc4ncc(F)c(N5CCN(CCO)CC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccc(C(=O)NNc4ncc(F)c(N5CCN(CCO)CC5)n4)c(O)c3Cl)cc2)CC1.CN1CCN(Cc2ccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCN(CCO)CC5)n4)c(O)c3Cl)cc2)CC1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Nc2cccc(C(F)(F)F)c2)cc(Cl)c1O.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(C(F)(F)F)c2)c(Cl)c1O.

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

The InChIKey is JSZXHUVJZSPVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClFN9O3.2C29H36ClFN8O3.2C22H19ClF4N6O3/c1-37-8-10-39(11-9-37)19-20-2-4-21(5-3-20)33-24-7-6-22(26(42)25(24)30)28(43)35-36-29-32-18-23(31)27(34-29)40-14-12-38(13-15-40)16-17-41;1-36-6-8-38(9-7-36)19-20-2-4-21(5-3-20)22-16-23(26(41)24(30)17-22)28(42)34-35-29-32-18-25(31)27(33-29)39-12-10-37(11-13-39)14-15-40;1-36-8-10-38(11-9-36)19-20-2-4-21(5-3-20)22-6-7-23(26(41)25(22)30)28(42)34-35-29-32-18-24(31)27(33-29)39-14-12-37(13-15-39)16-17-40;23-16-10-14(29-13-3-1-2-12(8-13)22(25,26)27)9-15(18(16)34)20(35)31-32-21-28-11-17(24)19(30-21)33-4-6-36-7-5-33;23-17-16(29-13-3-1-2-12(10-13)22(25,26)27)5-4-14(18(17)34)20(35)31-32-21-28-11-15(24)19(30-21)33-6-8-36-9-7-33/h2-7,18,33,41-42H,8-17,19H2,1H3,(H,35,43)(H,32,34,36);2-5,16-18,40-41H,6-15,19H2,1H3,(H,34,42)(H,32,33,35);2-7,18,40-41H,8-17,19H2,1H3,(H,34,42)(H,32,33,35);1-3,8-11,29,34H,4-7H2,(H,31,35)(H,28,30,32);1-5,10-11,29,34H,6-9H2,(H,31,35)(H,28,30,32).

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

3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide has a molecular weight of 2866.10 g/mol, XLogP of 15.52, 40 rotatable bonds, 21 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]-2-hydroxy-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-4-[3-(trifluoromethyl)anilino]benzohydrazide;3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide is sourced from PubChem (CID 159015299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).