2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol

C105H123ClF4N36O7 — CID 172956252

About 2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol

2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol (PubChem CID 172956252) has the molecular formula C105H123ClF4N36O7 and a molecular weight of 2112.83 g/mol. Its IUPAC name is 2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol
• PubChem CID: 172956252
• Molecular Formula: C105H123ClF4N36O7
• Molecular Weight: 2112.83 g/mol
• Exact Mass: 2111.00
• IUPAC Name: 2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol
• SMILES: Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2cncc(C)n2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(N2CCN(CCO)CC2)c1.OCCN1CCN(c2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)CC1.OCCN1CCN(c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)CC1
• InChI: InChI=1S/C27H34FN9O2.C26H31ClFN9O2.C26H32FN9O2.C26H26FN9O/c1-20-14-23(16-24(15-20)36-6-4-35(5-7-36)8-11-38)32-22-3-2-21(29-17-22)18-31-34-27-30-19-25(28)26(33-27)37-9-12-39-13-10-37;27-19-13-22(15-23(14-19)36-5-3-35(4-6-36)7-10-38)32-21-2-1-20(29-16-21)17-31-34-26-30-18-24(28)25(33-26)37-8-11-39-12-9-37;27-24-19-29-26(32-25(24)36-11-14-38-15-12-36)33-30-18-21-4-5-22(17-28-21)31-20-2-1-3-23(16-20)35-8-6-34(7-9-35)10-13-37;1-17-9-19(24-16-28-12-18(2)32-24)11-22(10-17)33-21-4-3-20(29-13-21)14-31-35-26-30-15-23(27)25(34-26)36-5-7-37-8-6-36/h2-3,14-19,32,38H,4-13H2,1H3,(H,30,33,34);1-2,13-18,32,38H,3-12H2,(H,30,33,34);1-5,16-19,31,37H,6-15H2,(H,29,32,33);3-4,9-16,33H,5-8H2,1-2H3,(H,30,34,35)/b31-18+;31-17+;30-18+;31-14+
• InChIKey: GFRBEOOPALEEDP-FIQCUWSFSA-N
• XLogP: 11.53
• TPSA: 456.15 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 43
• Rotatable Bonds: 34
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2112.83
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'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-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol?

The IUPAC name of 2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol (CID 172956252) is 2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol.

What is the SMILES notation for 2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol?

The canonical SMILES for 2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol is Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2cncc(C)n2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(N2CCN(CCO)CC2)c1.OCCN1CCN(c2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)CC1.OCCN1CCN(c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)CC1.

What is the InChIKey of 2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol?

The InChIKey is GFRBEOOPALEEDP-FIQCUWSFSA-N. The full InChI is InChI=1S/C27H34FN9O2.C26H31ClFN9O2.C26H32FN9O2.C26H26FN9O/c1-20-14-23(16-24(15-20)36-6-4-35(5-7-36)8-11-38)32-22-3-2-21(29-17-22)18-31-34-27-30-19-25(28)26(33-27)37-9-12-39-13-10-37;27-19-13-22(15-23(14-19)36-5-3-35(4-6-36)7-10-38)32-21-2-1-20(29-16-21)17-31-34-26-30-18-24(28)25(33-26)37-8-11-39-12-9-37;27-24-19-29-26(32-25(24)36-11-14-38-15-12-36)33-30-18-21-4-5-22(17-28-21)31-20-2-1-3-23(16-20)35-8-6-34(7-9-35)10-13-37;1-17-9-19(24-16-28-12-18(2)32-24)11-22(10-17)33-21-4-3-20(29-13-21)14-31-35-26-30-15-23(27)25(34-26)36-5-7-37-8-6-36/h2-3,14-19,32,38H,4-13H2,1H3,(H,30,33,34);1-2,13-18,32,38H,3-12H2,(H,30,33,34);1-5,16-19,31,37H,6-15H2,(H,29,32,33);3-4,9-16,33H,5-8H2,1-2H3,(H,30,34,35)/b31-18+;31-17+;30-18+;31-14+.

What are the key properties of 2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol?

2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol has a molecular weight of 2112.83 g/mol, XLogP of 11.53, 34 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol;5-fluoro-N-[(E)-[5-[3-methyl-5-(6-methylpyrazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-methylphenyl]piperazin-1-yl]ethanol;2-[4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 172956252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).