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

C113H90F4N28O4 — CID 172967414

IUPAC3-[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
SMILESCCc1cc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)ccn1.CCc1cnccc1-c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.Cc1cc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)ccn1.Oc1cccc(-c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc2)c1
InChIInChI=1S/2C29H24FN7O.C28H22FN7O.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;1-2-19-15-31-13-12-26(19)28-27(30)18-33-29(36-28)37-34-17-23-10-11-24(16-32-23)35-22-8-6-20(7-9-22)21-4-3-5-25(38)14-21;1-18-13-21(11-12-30-18)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)14-20;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/h2*3-18,35,38H,2H2,1H3,(H,33,36,37);2-17,34,37H,1H3,(H,32,35,36);1-17,33,36H,(H,31,34,35)/b2*34-17+;33-16+;32-16+
InChIKeyHGDUJPSOPMJWAM-AGKIMUEGSA-N
MW1980.15 g/mol
LogP23.97
Rot. Bonds30

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)-[[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

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 (PubChem CID 172967414) has the molecular formula C113H90F4N28O4 and a molecular weight of 1980.15 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)-[[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.

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)-[[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
PubChem CID172967414
Molecular FormulaC113H90F4N28O4
Molecular Weight1980.15 g/mol
Exact Mass1978.76
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)-[[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
SMILESCCc1cc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)ccn1.CCc1cnccc1-c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.Cc1cc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)ccn1.Oc1cccc(-c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc2)c1
InChIInChI=1S/2C29H24FN7O.C28H22FN7O.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;1-2-19-15-31-13-12-26(19)28-27(30)18-33-29(36-28)37-34-17-23-10-11-24(16-32-23)35-22-8-6-20(7-9-22)21-4-3-5-25(38)14-21;1-18-13-21(11-12-30-18)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)14-20;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/h2*3-18,35,38H,2H2,1H3,(H,33,36,37);2-17,34,37H,1H3,(H,32,35,36);1-17,33,36H,(H,31,34,35)/b2*34-17+;33-16+;32-16+
InChIKeyHGDUJPSOPMJWAM-AGKIMUEGSA-N
XLogP23.97
TPSA432.84 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms149
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001980.15
LogP ≤ 523.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

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)-[[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 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

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)-[[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?
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)-[[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) 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)-[[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.
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)-[[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?
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)-[[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 is CCc1cc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)ccn1.CCc1cnccc1-c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.Cc1cc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)ccn1.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)-[[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?
The InChIKey is HGDUJPSOPMJWAM-AGKIMUEGSA-N. The full InChI is InChI=1S/2C29H24FN7O.C28H22FN7O.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;1-2-19-15-31-13-12-26(19)28-27(30)18-33-29(36-28)37-34-17-23-10-11-24(16-32-23)35-22-8-6-20(7-9-22)21-4-3-5-25(38)14-21;1-18-13-21(11-12-30-18)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)14-20;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/h2*3-18,35,38H,2H2,1H3,(H,33,36,37);2-17,34,37H,1H3,(H,32,35,36);1-17,33,36H,(H,31,34,35)/b2*34-17+;33-16+;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)-[[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?
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 has a molecular weight of 1980.15 g/mol, XLogP of 23.97, 30 rotatable bonds, 12 hydrogen bond donors, and 32 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)-[[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 is sourced from PubChem (CID 172967414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).