N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C170H154Cl5F10N63O7 — CID 172949346

IUPACN-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCc1ccnnc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cnnc(-c2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Cc1cnncc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccnnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccnnc4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)cc3)cn2)nc1N1CCOCC1
InChIInChI=1S/3C25H23ClFN9O.C25H21F4N9O.C24H21ClFN9O.C23H21ClFN9O.C23H22FN9O/c1-16-11-30-31-14-22(16)17-8-18(26)10-21(9-17)33-20-3-2-19(28-12-20)13-32-35-25-29-15-23(27)24(34-25)36-4-6-37-7-5-36;1-16-8-23(34-30-12-16)17-9-18(26)11-21(10-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-4-6-37-7-5-36;1-16-4-5-30-34-23(16)17-10-18(26)12-21(11-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-6-8-37-9-7-36;26-22-15-31-24(36-23(22)38-5-7-39-8-6-38)37-34-14-19-1-2-20(13-30-19)35-21-10-17(16-3-4-32-33-12-16)9-18(11-21)25(27,28)29;25-18-9-17(16-3-4-29-30-12-16)10-21(11-18)32-20-2-1-19(27-13-20)14-31-34-24-28-15-22(26)23(33-24)35-5-7-36-8-6-35;24-19-11-15(3-4-18(19)21-5-6-28-32-21)30-17-2-1-16(26-12-17)13-29-33-23-27-14-20(25)22(31-23)34-7-9-35-10-8-34;24-20-15-26-23(30-22(20)33-9-11-34-12-10-33)32-28-14-18-5-6-19(13-25-18)29-17-3-1-16(2-4-17)21-7-8-27-31-21/h2-3,8-15,33H,4-7H2,1H3,(H,29,34,35);2-3,8-15,32H,4-7H2,1H3,(H,29,33,35);2-5,10-15,32H,6-9H2,1H3,(H,29,33,35);1-4,9-15,35H,5-8H2,(H,31,36,37);1-4,9-15,32H,5-8H2,(H,28,33,34);1-6,11-14,30H,7-10H2,(H,28,32)(H,27,31,33);1-8,13-15,29H,9-12H2,(H,27,31)(H,26,30,32)/b32-13+;2*31-14+;34-14+;31-14+;29-13+;28-14+
InChIKeyLMGUQKQETVZSHO-BNVZGSKVSA-N
MW3558.78 g/mol
LogP29.53
Rot. Bonds49

About N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172949346) has the molecular formula C170H154Cl5F10N63O7 and a molecular weight of 3558.78 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172949346
Molecular FormulaC170H154Cl5F10N63O7
Molecular Weight3558.78 g/mol
Exact Mass3554.19
IUPAC NameN-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCc1ccnnc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cnnc(-c2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Cc1cnncc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccnnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccnnc4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)cc3)cn2)nc1N1CCOCC1
InChIInChI=1S/3C25H23ClFN9O.C25H21F4N9O.C24H21ClFN9O.C23H21ClFN9O.C23H22FN9O/c1-16-11-30-31-14-22(16)17-8-18(26)10-21(9-17)33-20-3-2-19(28-12-20)13-32-35-25-29-15-23(27)24(34-25)36-4-6-37-7-5-36;1-16-8-23(34-30-12-16)17-9-18(26)11-21(10-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-4-6-37-7-5-36;1-16-4-5-30-34-23(16)17-10-18(26)12-21(11-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-6-8-37-9-7-36;26-22-15-31-24(36-23(22)38-5-7-39-8-6-38)37-34-14-19-1-2-20(13-30-19)35-21-10-17(16-3-4-32-33-12-16)9-18(11-21)25(27,28)29;25-18-9-17(16-3-4-29-30-12-16)10-21(11-18)32-20-2-1-19(27-13-20)14-31-34-24-28-15-22(26)23(33-24)35-5-7-36-8-6-35;24-19-11-15(3-4-18(19)21-5-6-28-32-21)30-17-2-1-16(26-12-17)13-29-33-23-27-14-20(25)22(31-23)34-7-9-35-10-8-34;24-20-15-26-23(30-22(20)33-9-11-34-12-10-33)32-28-14-18-5-6-19(13-25-18)29-17-3-1-16(2-4-17)21-7-8-27-31-21/h2-3,8-15,33H,4-7H2,1H3,(H,29,34,35);2-3,8-15,32H,4-7H2,1H3,(H,29,33,35);2-5,10-15,32H,6-9H2,1H3,(H,29,33,35);1-4,9-15,35H,5-8H2,(H,31,36,37);1-4,9-15,32H,5-8H2,(H,28,33,34);1-6,11-14,30H,7-10H2,(H,28,32)(H,27,31,33);1-8,13-15,29H,9-12H2,(H,27,31)(H,26,30,32)/b32-13+;2*31-14+;34-14+;31-14+;29-13+;28-14+
InChIKeyLMGUQKQETVZSHO-BNVZGSKVSA-N
XLogP29.53
TPSA799.18 Ų
H-Bond Donors16
H-Bond Acceptors68
Rotatable Bonds49
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003558.78
LogP ≤ 529.53
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

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

Analyze N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(E)-[5-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 57945879
N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876716
N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876720
N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876844
N-[(E)-[5-(3-chloro-5-pyridazin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876910
N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876931
N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58877080
N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58877120
N-[(E)-[5-(3-chloro-5-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58877218
N-[(E)-[5-[3-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58877344
N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58877374
N-[3-chloro-5-(5-methylpyridazin-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
CID 90770165

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172949346) is N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is Cc1ccnnc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cnnc(-c2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Cc1cnncc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccnnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccnnc4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)cc3)cn2)nc1N1CCOCC1.
What is the InChIKey of N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is LMGUQKQETVZSHO-BNVZGSKVSA-N. The full InChI is InChI=1S/3C25H23ClFN9O.C25H21F4N9O.C24H21ClFN9O.C23H21ClFN9O.C23H22FN9O/c1-16-11-30-31-14-22(16)17-8-18(26)10-21(9-17)33-20-3-2-19(28-12-20)13-32-35-25-29-15-23(27)24(34-25)36-4-6-37-7-5-36;1-16-8-23(34-30-12-16)17-9-18(26)11-21(10-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-4-6-37-7-5-36;1-16-4-5-30-34-23(16)17-10-18(26)12-21(11-17)32-20-3-2-19(28-13-20)14-31-35-25-29-15-22(27)24(33-25)36-6-8-37-9-7-36;26-22-15-31-24(36-23(22)38-5-7-39-8-6-38)37-34-14-19-1-2-20(13-30-19)35-21-10-17(16-3-4-32-33-12-16)9-18(11-21)25(27,28)29;25-18-9-17(16-3-4-29-30-12-16)10-21(11-18)32-20-2-1-19(27-13-20)14-31-34-24-28-15-22(26)23(33-24)35-5-7-36-8-6-35;24-19-11-15(3-4-18(19)21-5-6-28-32-21)30-17-2-1-16(26-12-17)13-29-33-23-27-14-20(25)22(31-23)34-7-9-35-10-8-34;24-20-15-26-23(30-22(20)33-9-11-34-12-10-33)32-28-14-18-5-6-19(13-25-18)29-17-3-1-16(2-4-17)21-7-8-27-31-21/h2-3,8-15,33H,4-7H2,1H3,(H,29,34,35);2-3,8-15,32H,4-7H2,1H3,(H,29,33,35);2-5,10-15,32H,6-9H2,1H3,(H,29,33,35);1-4,9-15,35H,5-8H2,(H,31,36,37);1-4,9-15,32H,5-8H2,(H,28,33,34);1-6,11-14,30H,7-10H2,(H,28,32)(H,27,31,33);1-8,13-15,29H,9-12H2,(H,27,31)(H,26,30,32)/b32-13+;2*31-14+;34-14+;31-14+;29-13+;28-14+.
What are the key properties of N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 3558.78 g/mol, XLogP of 29.53, 49 rotatable bonds, 16 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridazin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172949346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).