3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol

C161H150Cl3F9N42O13 — CID 172943305

IUPAC3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol
SMILESCc1cc(O)cc(Cc2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccco4)c(Cl)c3)cn2)nc1N1CCOCC1.Oc1cc(Cl)cc(Cc2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cc(O)cc(Cc2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cccc(Cc2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cccc(Cc2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C28H25F4N7O2.C28H28FN7O2.2C27H25ClFN7O2.C27H26FN7O3.C24H21ClFN7O2/c29-25-17-34-27(37-26(25)39-6-8-41-9-7-39)38-35-16-21-4-5-22(15-33-21)36-23-12-19(11-20(14-23)28(30,31)32)10-18-2-1-3-24(40)13-18;1-19-11-21(15-25(37)12-19)13-20-3-2-4-22(14-20)33-24-6-5-23(30-16-24)17-32-35-28-31-18-26(29)27(34-28)36-7-9-38-10-8-36;28-20-11-19(10-18-2-1-3-24(37)13-18)12-23(14-20)33-22-5-4-21(30-15-22)16-32-35-27-31-17-25(29)26(34-27)36-6-8-38-9-7-36;28-20-11-19(13-24(37)14-20)10-18-2-1-3-21(12-18)33-23-5-4-22(30-15-23)16-32-35-27-31-17-25(29)26(34-27)36-6-8-38-9-7-36;28-25-17-30-27(33-26(25)35-6-8-38-9-7-35)34-31-16-21-4-5-22(15-29-21)32-20-3-1-2-18(11-20)10-19-12-23(36)14-24(37)13-19;25-20-12-16(5-6-19(20)22-2-1-9-35-22)30-18-4-3-17(27-13-18)14-29-32-24-28-15-21(26)23(31-24)33-7-10-34-11-8-33/h1-5,11-17,36,40H,6-10H2,(H,34,37,38);2-6,11-12,14-18,33,37H,7-10,13H2,1H3,(H,31,34,35);2*1-5,11-17,33,37H,6-10H2,(H,31,34,35);1-5,11-17,32,36-37H,6-10H2,(H,30,33,34);1-6,9,12-15,30H,7-8,10-11H2,(H,28,31,32)/b35-16+;32-17+;2*32-16+;31-16+;29-14+
InChIKeyZPKBDBJRWFHNHC-VHLGDEQVSA-N
MW3158.59 g/mol
LogP28.96
Rot. Bonds47

About 3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol

3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol (PubChem CID 172943305) has the molecular formula C161H150Cl3F9N42O13 and a molecular weight of 3158.59 g/mol. Its IUPAC name is 3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol
PubChem CID172943305
Molecular FormulaC161H150Cl3F9N42O13
Molecular Weight3158.59 g/mol
Exact Mass3155.13
IUPAC Name3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol
SMILESCc1cc(O)cc(Cc2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccco4)c(Cl)c3)cn2)nc1N1CCOCC1.Oc1cc(Cl)cc(Cc2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cc(O)cc(Cc2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cccc(Cc2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cccc(Cc2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C28H25F4N7O2.C28H28FN7O2.2C27H25ClFN7O2.C27H26FN7O3.C24H21ClFN7O2/c29-25-17-34-27(37-26(25)39-6-8-41-9-7-39)38-35-16-21-4-5-22(15-33-21)36-23-12-19(11-20(14-23)28(30,31)32)10-18-2-1-3-24(40)13-18;1-19-11-21(15-25(37)12-19)13-20-3-2-4-22(14-20)33-24-6-5-23(30-16-24)17-32-35-28-31-18-26(29)27(34-28)36-7-9-38-10-8-36;28-20-11-19(10-18-2-1-3-24(37)13-18)12-23(14-20)33-22-5-4-21(30-15-22)16-32-35-27-31-17-25(29)26(34-27)36-6-8-38-9-7-36;28-20-11-19(13-24(37)14-20)10-18-2-1-3-21(12-18)33-23-5-4-22(30-15-23)16-32-35-27-31-17-25(29)26(34-27)36-6-8-38-9-7-36;28-25-17-30-27(33-26(25)35-6-8-38-9-7-35)34-31-16-21-4-5-22(15-29-21)32-20-3-1-2-18(11-20)10-19-12-23(36)14-24(37)13-19;25-20-12-16(5-6-19(20)22-2-1-9-35-22)30-18-4-3-17(27-13-18)14-29-32-24-28-15-21(26)23(31-24)33-7-10-34-11-8-33/h1-5,11-17,36,40H,6-10H2,(H,34,37,38);2-6,11-12,14-18,33,37H,7-10,13H2,1H3,(H,31,34,35);2*1-5,11-17,33,37H,6-10H2,(H,31,34,35);1-5,11-17,32,36-37H,6-10H2,(H,30,33,34);1-6,9,12-15,30H,7-8,10-11H2,(H,28,31,32)/b35-16+;32-17+;2*32-16+;31-16+;29-14+
InChIKeyZPKBDBJRWFHNHC-VHLGDEQVSA-N
XLogP28.96
TPSA659.88 Ų
H-Bond Donors18
H-Bond Acceptors55
Rotatable Bonds47
Heavy Atoms228
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003158.59
LogP ≤ 528.96
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol?
The IUPAC name of 3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol (CID 172943305) is 3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol.
What is the SMILES notation for 3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol?
The canonical SMILES for 3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol is Cc1cc(O)cc(Cc2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccco4)c(Cl)c3)cn2)nc1N1CCOCC1.Oc1cc(Cl)cc(Cc2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cc(O)cc(Cc2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cccc(Cc2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cccc(Cc2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol?
The InChIKey is ZPKBDBJRWFHNHC-VHLGDEQVSA-N. The full InChI is InChI=1S/C28H25F4N7O2.C28H28FN7O2.2C27H25ClFN7O2.C27H26FN7O3.C24H21ClFN7O2/c29-25-17-34-27(37-26(25)39-6-8-41-9-7-39)38-35-16-21-4-5-22(15-33-21)36-23-12-19(11-20(14-23)28(30,31)32)10-18-2-1-3-24(40)13-18;1-19-11-21(15-25(37)12-19)13-20-3-2-4-22(14-20)33-24-6-5-23(30-16-24)17-32-35-28-31-18-26(29)27(34-28)36-7-9-38-10-8-36;28-20-11-19(10-18-2-1-3-24(37)13-18)12-23(14-20)33-22-5-4-21(30-15-22)16-32-35-27-31-17-25(29)26(34-27)36-6-8-38-9-7-36;28-20-11-19(13-24(37)14-20)10-18-2-1-3-21(12-18)33-23-5-4-22(30-15-23)16-32-35-27-31-17-25(29)26(34-27)36-6-8-38-9-7-36;28-25-17-30-27(33-26(25)35-6-8-38-9-7-35)34-31-16-21-4-5-22(15-29-21)32-20-3-1-2-18(11-20)10-19-12-23(36)14-24(37)13-19;25-20-12-16(5-6-19(20)22-2-1-9-35-22)30-18-4-3-17(27-13-18)14-29-32-24-28-15-21(26)23(31-24)33-7-10-34-11-8-33/h1-5,11-17,36,40H,6-10H2,(H,34,37,38);2-6,11-12,14-18,33,37H,7-10,13H2,1H3,(H,31,34,35);2*1-5,11-17,33,37H,6-10H2,(H,31,34,35);1-5,11-17,32,36-37H,6-10H2,(H,30,33,34);1-6,9,12-15,30H,7-8,10-11H2,(H,28,31,32)/b35-16+;32-17+;2*32-16+;31-16+;29-14+.
What are the key properties of 3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol?
3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol has a molecular weight of 3158.59 g/mol, XLogP of 28.96, 47 rotatable bonds, 18 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;3-chloro-5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]-5-methylphenol;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol is sourced from PubChem (CID 172943305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).