5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol

C121H127F8N45O8 — CID 172965486

IUPAC5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol
SMILESCC1CCNN1c1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CC1CNN(c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)C1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.Cc1cn(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1
InChIInChI=1S/C25H23F4N9O.C24H24FN9O2.2C24H28FN9O2.C24H24FN9O/c1-16-14-38(15-32-16)21-9-17(25(27,28)29)8-20(10-21)34-19-3-2-18(30-11-19)12-33-36-24-31-13-22(26)23(35-24)37-4-6-39-7-5-37;1-16-14-34(15-28-16)20-8-19(9-21(35)10-20)30-18-3-2-17(26-11-18)12-29-32-24-27-13-22(25)23(31-24)33-4-6-36-7-5-33;1-16-11-29-34(15-16)20-8-19(9-21(35)10-20)30-18-3-2-17(26-12-18)13-28-32-24-27-14-22(25)23(31-24)33-4-6-36-7-5-33;1-16-4-5-29-34(16)20-10-19(11-21(35)12-20)30-18-3-2-17(26-13-18)14-28-32-24-27-15-22(25)23(31-24)33-6-8-36-9-7-33;1-17-15-34(16-28-17)21-4-2-3-18(11-21)30-20-6-5-19(26-12-20)13-29-32-24-27-14-22(25)23(31-24)33-7-9-35-10-8-33/h2-3,8-15,34H,4-7H2,1H3,(H,31,35,36);2-3,8-15,30,35H,4-7H2,1H3,(H,27,31,32);2-3,8-10,12-14,16,29-30,35H,4-7,11,15H2,1H3,(H,27,31,32);2-3,10-16,29-30,35H,4-9H2,1H3,(H,27,31,32);2-6,11-16,30H,7-10H2,1H3,(H,27,31,32)/b33-12+;29-12+;28-13+;28-14+;29-13+
InChIKeyZAUSBZXLTCFXMH-KKQMUFOESA-N
MW2491.64 g/mol
LogP16.87
Rot. Bonds35

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

5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol (PubChem CID 172965486) has the molecular formula C121H127F8N45O8 and a molecular weight of 2491.64 g/mol. Its IUPAC name is 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol.

Molecular Properties

Compound Name5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol
PubChem CID172965486
Molecular FormulaC121H127F8N45O8
Molecular Weight2491.64 g/mol
Exact Mass2490.08
IUPAC Name5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol
SMILESCC1CCNN1c1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CC1CNN(c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)C1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.Cc1cn(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1
InChIInChI=1S/C25H23F4N9O.C24H24FN9O2.2C24H28FN9O2.C24H24FN9O/c1-16-14-38(15-32-16)21-9-17(25(27,28)29)8-20(10-21)34-19-3-2-18(30-11-19)12-33-36-24-31-13-22(26)23(35-24)37-4-6-39-7-5-37;1-16-14-34(15-28-16)20-8-19(9-21(35)10-20)30-18-3-2-17(26-11-18)12-29-32-24-27-13-22(25)23(31-24)33-4-6-36-7-5-33;1-16-11-29-34(15-16)20-8-19(9-21(35)10-20)30-18-3-2-17(26-12-18)13-28-32-24-27-14-22(25)23(31-24)33-4-6-36-7-5-33;1-16-4-5-29-34(16)20-10-19(11-21(35)12-20)30-18-3-2-17(26-13-18)14-28-32-24-27-15-22(25)23(31-24)33-6-8-36-9-7-33;1-17-15-34(16-28-17)21-4-2-3-18(11-21)30-20-6-5-19(26-12-20)13-29-32-24-27-14-22(25)23(31-24)33-7-9-35-10-8-33/h2-3,8-15,34H,4-7H2,1H3,(H,31,35,36);2-3,8-15,30,35H,4-7H2,1H3,(H,27,31,32);2-3,8-10,12-14,16,29-30,35H,4-7,11,15H2,1H3,(H,27,31,32);2-3,10-16,29-30,35H,4-9H2,1H3,(H,27,31,32);2-6,11-16,30H,7-10H2,1H3,(H,27,31,32)/b33-12+;29-12+;28-13+;28-14+;29-13+
InChIKeyZAUSBZXLTCFXMH-KKQMUFOESA-N
XLogP16.87
TPSA582.49 Ų
H-Bond Donors15
H-Bond Acceptors53
Rotatable Bonds35
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002491.64
LogP ≤ 516.87
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol with MolForge

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Launch Full Analysis

Related Compounds

3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]pyridin-3-yl]amino]-5-(trifluoromethyl)anilino]phenol
CID 58876996
3-[[6-[(E)-[[5-fluoro-4-[2-[[2-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]pyrazolidin-3-yl]methyl]morpholin-4-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(3-methylpyrazolidin-1-yl)phenol
CID 130197432
CID 157580041
CID 157580041
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol;[6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]-3-pyridinyl]methanol;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 157665559
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(5-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 157880658
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(5-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 157903450
N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 158707473
N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;methane;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 159153035
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(5-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 159190890
CID 160126663
CID 160126663
N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 160788667
N'-[5-fluoro-4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-[5-fluoro-4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-N'-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 160983946

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol?
The IUPAC name of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol (CID 172965486) is 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol.
What is the SMILES notation for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol?
The canonical SMILES for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol is CC1CCNN1c1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CC1CNN(c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)C1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(O)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.Cc1cn(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.
What is the InChIKey of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol?
The InChIKey is ZAUSBZXLTCFXMH-KKQMUFOESA-N. The full InChI is InChI=1S/C25H23F4N9O.C24H24FN9O2.2C24H28FN9O2.C24H24FN9O/c1-16-14-38(15-32-16)21-9-17(25(27,28)29)8-20(10-21)34-19-3-2-18(30-11-19)12-33-36-24-31-13-22(26)23(35-24)37-4-6-39-7-5-37;1-16-14-34(15-28-16)20-8-19(9-21(35)10-20)30-18-3-2-17(26-11-18)12-29-32-24-27-13-22(25)23(31-24)33-4-6-36-7-5-33;1-16-11-29-34(15-16)20-8-19(9-21(35)10-20)30-18-3-2-17(26-12-18)13-28-32-24-27-14-22(25)23(31-24)33-4-6-36-7-5-33;1-16-4-5-29-34(16)20-10-19(11-21(35)12-20)30-18-3-2-17(26-13-18)14-28-32-24-27-15-22(25)23(31-24)33-6-8-36-9-7-33;1-17-15-34(16-28-17)21-4-2-3-18(11-21)30-20-6-5-19(26-12-20)13-29-32-24-27-14-22(25)23(31-24)33-7-9-35-10-8-33/h2-3,8-15,34H,4-7H2,1H3,(H,31,35,36);2-3,8-15,30,35H,4-7H2,1H3,(H,27,31,32);2-3,8-10,12-14,16,29-30,35H,4-7,11,15H2,1H3,(H,27,31,32);2-3,10-16,29-30,35H,4-9H2,1H3,(H,27,31,32);2-6,11-16,30H,7-10H2,1H3,(H,27,31,32)/b33-12+;29-12+;28-13+;28-14+;29-13+.
What are the key properties of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol?
5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol has a molecular weight of 2491.64 g/mol, XLogP of 16.87, 35 rotatable bonds, 15 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylimidazol-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(4-methylpyrazolidin-1-yl)phenol;3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(5-methylpyrazolidin-1-yl)phenol is sourced from PubChem (CID 172965486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).