3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

C134H128F4N38O7 — CID 172964021

About 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 172964021) has the molecular formula C134H128F4N38O7 and a molecular weight of 2458.75 g/mol. Its IUPAC name is 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
• PubChem CID: 172964021
• Molecular Formula: C134H128F4N38O7
• Molecular Weight: 2458.75 g/mol
• Exact Mass: 2457.08
• IUPAC Name: 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
• SMILES: CC1CCN(c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)N1.CC1CNN(c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)C1.Cc1ccc2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)nc(C)c2c1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)cn1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)nc1
• InChI: InChI=1S/2C29H24FN7O2.C28H24N6O.2C24H28FN9O/c30-27-18-33-29(36-28(27)21-6-7-22(12-13-38)31-15-21)37-34-17-24-10-11-25(16-32-24)35-23-8-4-19(5-9-23)20-2-1-3-26(39)14-20;30-26-18-33-29(36-28(26)27-11-4-19(12-13-38)15-32-27)37-34-17-23-9-10-24(16-31-23)35-22-7-5-20(6-8-22)21-2-1-3-25(39)14-21;1-18-6-13-27-26(14-18)19(2)31-28(33-27)34-30-17-23-11-12-24(16-29-23)32-22-9-7-20(8-10-22)21-4-3-5-25(35)15-21;1-17-12-29-34(16-17)21-4-2-3-18(11-21)30-20-6-5-19(26-13-20)14-28-32-24-27-15-22(25)23(31-24)33-7-9-35-10-8-33;1-17-7-8-34(32-17)21-4-2-3-18(13-21)29-20-6-5-19(26-14-20)15-28-31-24-27-16-22(25)23(30-24)33-9-11-35-12-10-33/h2*1-11,14-18,35,38-39H,12-13H2,(H,33,36,37);3-17,32,35H,1-2H3,(H,31,33,34);2-6,11,13-15,17,29-30H,7-10,12,16H2,1H3,(H,27,31,32);2-6,13-17,29,32H,7-12H2,1H3,(H,27,30,31)/b2*34-17+;30-17+;28-14+;28-15+
• InChIKey: HTYLZPRAXYHKSV-AEOIJUAISA-N
• XLogP: 22.68
• TPSA: 557.86 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 45
• Rotatable Bonds: 38
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2458.75
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	45

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 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The IUPAC name of 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (CID 172964021) is 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.

What is the SMILES notation for 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The canonical SMILES for 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is CC1CCN(c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)N1.CC1CNN(c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)C1.Cc1ccc2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)nc(C)c2c1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)cn1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4ccc(-c5cccc(O)c5)cc4)cn3)ncc2F)nc1.

What is the InChIKey of 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The InChIKey is HTYLZPRAXYHKSV-AEOIJUAISA-N. The full InChI is InChI=1S/2C29H24FN7O2.C28H24N6O.2C24H28FN9O/c30-27-18-33-29(36-28(27)21-6-7-22(12-13-38)31-15-21)37-34-17-24-10-11-25(16-32-24)35-23-8-4-19(5-9-23)20-2-1-3-26(39)14-20;30-26-18-33-29(36-28(26)27-11-4-19(12-13-38)15-32-27)37-34-17-23-9-10-24(16-31-23)35-22-7-5-20(6-8-22)21-2-1-3-25(39)14-21;1-18-6-13-27-26(14-18)19(2)31-28(33-27)34-30-17-23-11-12-24(16-29-23)32-22-9-7-20(8-10-22)21-4-3-5-25(35)15-21;1-17-12-29-34(16-17)21-4-2-3-18(11-21)30-20-6-5-19(26-13-20)14-28-32-24-27-15-22(25)23(31-24)33-7-9-35-10-8-33;1-17-7-8-34(32-17)21-4-2-3-18(13-21)29-20-6-5-19(26-14-20)15-28-31-24-27-16-22(25)23(30-24)33-9-11-35-12-10-33/h2*1-11,14-18,35,38-39H,12-13H2,(H,33,36,37);3-17,32,35H,1-2H3,(H,31,33,34);2-6,11,13-15,17,29-30H,7-10,12,16H2,1H3,(H,27,31,32);2-6,13-17,29,32H,7-12H2,1H3,(H,27,30,31)/b2*34-17+;30-17+;28-14+;28-15+.

What are the key properties of 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 2458.75 g/mol, XLogP of 22.68, 38 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[6-[(E)-[(4,6-dimethylquinazolin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[5-(2-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-[4-[[6-[(E)-[[5-fluoro-4-[6-(2-hydroxyethyl)-3-pyridinyl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 172964021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).