3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol

C169H136F4N42O6 — CID 172949313

IUPAC3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
SMILESCCc1cc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)ccn1.Cc1cc(-c2cccnc2)nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)n1.Cc1cncc(-c2cc(C)nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)n2)c1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)c1.Cc1ncccc1-c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.Oc1cccc(-c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc2)c1
InChIInChI=1S/C29H24FN7O.C29H25N7O.2C28H22FN7O.C28H23N7O.C27H20FN7O/c1-2-22-14-21(12-13-31-22)28-27(30)18-33-29(36-28)37-34-17-24-10-11-25(16-32-24)35-23-8-6-19(7-9-23)20-4-3-5-26(38)15-20;1-19-12-23(16-30-15-19)28-13-20(2)33-29(35-28)36-32-18-25-10-11-26(17-31-25)34-24-8-6-21(7-9-24)22-4-3-5-27(37)14-22;1-18-25(6-3-13-30-18)27-26(29)17-32-28(35-27)36-33-16-22-11-12-23(15-31-22)34-21-9-7-19(8-10-21)20-4-2-5-24(37)14-20;1-18-11-21(14-30-13-18)27-26(29)17-32-28(35-27)36-33-16-23-9-10-24(15-31-23)34-22-7-5-19(6-8-22)20-3-2-4-25(37)12-20;1-19-14-27(22-5-3-13-29-16-22)34-28(32-19)35-31-18-24-11-12-25(17-30-24)33-23-9-7-20(8-10-23)21-4-2-6-26(36)15-21;28-25-17-31-27(34-26(25)20-4-2-12-29-14-20)35-32-16-22-10-11-23(15-30-22)33-21-8-6-18(7-9-21)19-3-1-5-24(36)13-19/h3-18,35,38H,2H2,1H3,(H,33,36,37);3-18,34,37H,1-2H3,(H,33,35,36);2*2-17,34,37H,1H3,(H,32,35,36);2-18,33,36H,1H3,(H,32,34,35);1-17,33,36H,(H,31,34,35)/b34-17+;32-18+;2*33-16+;31-18+;32-16+
InChIKeyLLRZWWSRUFAGCO-HQTXMCRESA-N
MW2927.23 g/mol
LogP35.64
Rot. Bonds43

About 3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol

3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol (PubChem CID 172949313) has the molecular formula C169H136F4N42O6 and a molecular weight of 2927.23 g/mol. Its IUPAC name is 3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol.

Molecular Properties

Compound Name3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
PubChem CID172949313
Molecular FormulaC169H136F4N42O6
Molecular Weight2927.23 g/mol
Exact Mass2925.16
IUPAC Name3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
SMILESCCc1cc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)ccn1.Cc1cc(-c2cccnc2)nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)n1.Cc1cncc(-c2cc(C)nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)n2)c1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)c1.Cc1ncccc1-c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.Oc1cccc(-c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc2)c1
InChIInChI=1S/C29H24FN7O.C29H25N7O.2C28H22FN7O.C28H23N7O.C27H20FN7O/c1-2-22-14-21(12-13-31-22)28-27(30)18-33-29(36-28)37-34-17-24-10-11-25(16-32-24)35-23-8-6-19(7-9-23)20-4-3-5-26(38)15-20;1-19-12-23(16-30-15-19)28-13-20(2)33-29(35-28)36-32-18-25-10-11-26(17-31-25)34-24-8-6-21(7-9-24)22-4-3-5-27(37)14-22;1-18-25(6-3-13-30-18)27-26(29)17-32-28(35-27)36-33-16-22-11-12-23(15-31-22)34-21-9-7-19(8-10-21)20-4-2-5-24(37)14-20;1-18-11-21(14-30-13-18)27-26(29)17-32-28(35-27)36-33-16-23-9-10-24(15-31-23)34-22-7-5-19(6-8-22)20-3-2-4-25(37)12-20;1-19-14-27(22-5-3-13-29-16-22)34-28(32-19)35-31-18-24-11-12-25(17-30-24)33-23-9-7-20(8-10-23)21-4-2-6-26(36)15-21;28-25-17-31-27(34-26(25)20-4-2-12-29-14-20)35-32-16-22-10-11-23(15-30-22)33-21-8-6-18(7-9-21)19-3-1-5-24(36)13-19/h3-18,35,38H,2H2,1H3,(H,33,36,37);3-18,34,37H,1-2H3,(H,33,35,36);2*2-17,34,37H,1H3,(H,32,35,36);2-18,33,36H,1H3,(H,32,34,35);1-17,33,36H,(H,31,34,35)/b34-17+;32-18+;2*33-16+;31-18+;32-16+
InChIKeyLLRZWWSRUFAGCO-HQTXMCRESA-N
XLogP35.64
TPSA649.26 Ų
H-Bond Donors18
H-Bond Acceptors48
Rotatable Bonds43
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002927.23
LogP ≤ 535.64
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-(3-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 172967414
3-[4-[[6-[(E)-[(5-fluoro-4-methylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-methylpyridin-2-amine
CID 143431126
3-[4-[[6-[(E)-[[4-[2-(2-hydroxyethylamino)ethylamino]-6-methylpyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 146370542
4-methyl-6-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(triiodomethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172940649
3-[4-[[6-[[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]diazenyl]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 91350123
4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol
CID 172960530
3-[4-[[6-[(E)-[(5-fluoro-4-methylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol
CID 143471192
4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 58876733
4-(5-benzyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-(5-ethyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-propan-2-yl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172984624
4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol
CID 172971964
3-[4-[4-[(E)-[(5-fluoro-4-methylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol
CID 143430838
3-[4-[[6-[[[4-(3-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]diazenyl]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 90885534

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol?
The IUPAC name of 3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol (CID 172949313) is 3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol.
What is the SMILES notation for 3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol?
The canonical SMILES for 3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol is CCc1cc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)ccn1.Cc1cc(-c2cccnc2)nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)n1.Cc1cncc(-c2cc(C)nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)n2)c1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)c1.Cc1ncccc1-c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.Oc1cccc(-c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc2)c1.
What is the InChIKey of 3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol?
The InChIKey is LLRZWWSRUFAGCO-HQTXMCRESA-N. The full InChI is InChI=1S/C29H24FN7O.C29H25N7O.2C28H22FN7O.C28H23N7O.C27H20FN7O/c1-2-22-14-21(12-13-31-22)28-27(30)18-33-29(36-28)37-34-17-24-10-11-25(16-32-24)35-23-8-6-19(7-9-23)20-4-3-5-26(38)15-20;1-19-12-23(16-30-15-19)28-13-20(2)33-29(35-28)36-32-18-25-10-11-26(17-31-25)34-24-8-6-21(7-9-24)22-4-3-5-27(37)14-22;1-18-25(6-3-13-30-18)27-26(29)17-32-28(35-27)36-33-16-22-11-12-23(15-31-22)34-21-9-7-19(8-10-21)20-4-2-5-24(37)14-20;1-18-11-21(14-30-13-18)27-26(29)17-32-28(35-27)36-33-16-23-9-10-24(15-31-23)34-22-7-5-19(6-8-22)20-3-2-4-25(37)12-20;1-19-14-27(22-5-3-13-29-16-22)34-28(32-19)35-31-18-24-11-12-25(17-30-24)33-23-9-7-20(8-10-23)21-4-2-6-26(36)15-21;28-25-17-31-27(34-26(25)20-4-2-12-29-14-20)35-32-16-22-10-11-23(15-30-22)33-21-8-6-18(7-9-21)19-3-1-5-24(36)13-19/h3-18,35,38H,2H2,1H3,(H,33,36,37);3-18,34,37H,1-2H3,(H,33,35,36);2*2-17,34,37H,1H3,(H,32,35,36);2-18,33,36H,1H3,(H,32,34,35);1-17,33,36H,(H,31,34,35)/b34-17+;32-18+;2*33-16+;31-18+;32-16+.
What are the key properties of 3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol?
3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol has a molecular weight of 2927.23 g/mol, XLogP of 35.64, 43 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[6-[(E)-[[4-(2-ethyl-4-pyridinyl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(2-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol is sourced from PubChem (CID 172949313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).