2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C86H90Cl2F13N25O6 — CID 172918382

About 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine

2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172918382) has the molecular formula C86H90Cl2F13N25O6 and a molecular weight of 1887.71 g/mol. Its IUPAC name is 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
• PubChem CID: 172918382
• Molecular Formula: C86H90Cl2F13N25O6
• Molecular Weight: 1887.71 g/mol
• Exact Mass: 1885.67
• IUPAC Name: 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
• SMILES: CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ccc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.Fc1cnc(N/N=C\c2cc(C(F)(F)F)ccn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2cccc(C(F)(F)F)n2)nc1N1CCOCC1
• InChI: InChI=1S/C28H30ClF4N7O2.C28H32ClFN6O2.2C15H14F4N6O/c1-38-4-6-39(7-5-38)17-19-3-2-18(13-22(19)28(31,32)33)20-12-21(25(41)23(29)14-20)15-35-37-27-34-16-24(30)26(36-27)40-8-10-42-11-9-40;1-34-8-10-35(11-9-34)19-20-2-4-21(5-3-20)22-16-23(27(37)24(29)17-22)18-31-33-26-7-6-25(30)28(32-26)36-12-14-38-15-13-36;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-7-10(1-2-20-11)15(17,18)19;16-11-9-20-14(23-13(11)25-4-6-26-7-5-25)24-21-8-10-2-1-3-12(22-10)15(17,18)19/h2-3,12-16,41H,4-11,17H2,1H3,(H,34,36,37);2-7,16-18,37H,8-15,19H2,1H3,(H,32,33);1-2,7-9H,3-6H2,(H,21,23,24);1-3,8-9H,4-7H2,(H,20,23,24)/b35-15+;31-18+;22-8-;21-8-
• InChIKey: HVQXOZODGDSGCA-JQQDHHGESA-N
• XLogP: 13.59
• TPSA: 316.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1887.71
LogP ≤ 5	13.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?

The IUPAC name of 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172918382) is 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

What is the SMILES notation for 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?

The canonical SMILES for 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ccc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.Fc1cnc(N/N=C\c2cc(C(F)(F)F)ccn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2cccc(C(F)(F)F)n2)nc1N1CCOCC1.

What is the InChIKey of 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?

The InChIKey is HVQXOZODGDSGCA-JQQDHHGESA-N. The full InChI is InChI=1S/C28H30ClF4N7O2.C28H32ClFN6O2.2C15H14F4N6O/c1-38-4-6-39(7-5-38)17-19-3-2-18(13-22(19)28(31,32)33)20-12-21(25(41)23(29)14-20)15-35-37-27-34-16-24(30)26(36-27)40-8-10-42-11-9-40;1-34-8-10-35(11-9-34)19-20-2-4-21(5-3-20)22-16-23(27(37)24(29)17-22)18-31-33-26-7-6-25(30)28(32-26)36-12-14-38-15-13-36;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-7-10(1-2-20-11)15(17,18)19;16-11-9-20-14(23-13(11)25-4-6-26-7-5-25)24-21-8-10-2-1-3-12(22-10)15(17,18)19/h2-3,12-16,41H,4-11,17H2,1H3,(H,34,36,37);2-7,16-18,37H,8-15,19H2,1H3,(H,32,33);1-2,7-9H,3-6H2,(H,21,23,24);1-3,8-9H,4-7H2,(H,20,23,24)/b35-15+;31-18+;22-8-;21-8-.

What are the key properties of 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?

2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 1887.71 g/mol, XLogP of 13.59, 22 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[(E)-[(5-fluoro-6-morpholin-4-yl-2-pyridinyl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172918382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).