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

C147H137Cl3F9N51O6 — CID 172950770

IUPACN-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC1=CC(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)=NC1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccn[nH]2)c1.Cc1cn[nH]c1-c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cccnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccnc4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C26H22F4N8O.C25H24ClFN8O.C25H23FN8O.C24H23ClFN9O.C24H24FN9O.C23H21ClFN9O/c27-23-16-33-25(36-24(23)38-6-8-39-9-7-38)37-34-15-20-3-4-21(14-32-20)35-22-11-18(17-2-1-5-31-13-17)10-19(12-22)26(28,29)30;1-16-10-23(29-12-16)20-5-4-17(11-21(20)26)32-19-3-2-18(28-13-19)14-31-34-25-30-15-22(27)24(33-25)35-6-8-36-9-7-35;26-23-17-29-25(32-24(23)34-9-11-35-12-10-34)33-30-16-21-6-7-22(15-28-21)31-20-5-1-3-18(13-20)19-4-2-8-27-14-19;1-15-11-29-33-22(15)19-5-4-16(10-20(19)25)31-18-3-2-17(27-12-18)13-30-34-24-28-14-21(26)23(32-24)35-6-8-36-9-7-35;1-16-10-17(22-4-5-28-32-22)12-20(11-16)30-19-3-2-18(26-13-19)14-29-33-24-27-15-21(25)23(31-24)34-6-8-35-9-7-34;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/h1-5,10-16,35H,6-9H2,(H,33,36,37);2-5,10-11,13-15,32H,6-9,12H2,1H3,(H,30,33,34);1-8,13-17,31H,9-12H2,(H,29,32,33);2-5,10-14,31H,6-9H2,1H3,(H,29,33)(H,28,32,34);2-5,10-15,30H,6-9H2,1H3,(H,28,32)(H,27,31,33);1-6,11-14,30H,7-10H2,(H,28,32)(H,27,31,33)/b34-15+;31-14+;30-16+;30-13+;29-14+;29-13+
InChIKeyJIJRKZYZUDPIQX-CQLUXIIWSA-N
MW2991.40 g/mol
LogP25.86
Rot. Bonds42

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

N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172950770) has the molecular formula C147H137Cl3F9N51O6 and a molecular weight of 2991.40 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172950770
Molecular FormulaC147H137Cl3F9N51O6
Molecular Weight2991.40 g/mol
Exact Mass2988.09
IUPAC NameN-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC1=CC(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)=NC1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccn[nH]2)c1.Cc1cn[nH]c1-c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cccnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccnc4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C26H22F4N8O.C25H24ClFN8O.C25H23FN8O.C24H23ClFN9O.C24H24FN9O.C23H21ClFN9O/c27-23-16-33-25(36-24(23)38-6-8-39-9-7-38)37-34-15-20-3-4-21(14-32-20)35-22-11-18(17-2-1-5-31-13-17)10-19(12-22)26(28,29)30;1-16-10-23(29-12-16)20-5-4-17(11-21(20)26)32-19-3-2-18(28-13-19)14-31-34-25-30-15-22(27)24(33-25)35-6-8-36-9-7-35;26-23-17-29-25(32-24(23)34-9-11-35-12-10-34)33-30-16-21-6-7-22(15-28-21)31-20-5-1-3-18(13-20)19-4-2-8-27-14-19;1-15-11-29-33-22(15)19-5-4-16(10-20(19)25)31-18-3-2-17(27-12-18)13-30-34-24-28-14-21(26)23(32-24)35-6-8-36-9-7-35;1-16-10-17(22-4-5-28-32-22)12-20(11-16)30-19-3-2-18(26-13-19)14-29-33-24-27-15-21(25)23(31-24)34-6-8-35-9-7-34;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/h1-5,10-16,35H,6-9H2,(H,33,36,37);2-5,10-11,13-15,32H,6-9,12H2,1H3,(H,30,33,34);1-8,13-17,31H,9-12H2,(H,29,32,33);2-5,10-14,31H,6-9H2,1H3,(H,29,33)(H,28,32,34);2-5,10-15,30H,6-9H2,1H3,(H,28,32)(H,27,31,33);1-6,11-14,30H,7-10H2,(H,28,32)(H,27,31,33)/b34-15+;31-14+;30-16+;30-13+;29-14+;29-13+
InChIKeyJIJRKZYZUDPIQX-CQLUXIIWSA-N
XLogP25.86
TPSA649.54 Ų
H-Bond Donors15
H-Bond Acceptors54
Rotatable Bonds42
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002991.40
LogP ≤ 525.86
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1054

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-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-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-4-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58877120
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-[(Z)-[5-(3-chloro-5-piperidin-1-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-[3-piperidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 91000311
N-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
CID 91071513
N-[3-chloro-4-(1H-pyrazol-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
CID 91312010
N-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
CID 91409789
N-[3-chloro-4-(1H-pyrazol-4-yl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
CID 91534544
4-[4-(3-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,7-naphthyridin-2-yl]morpholine
CID 135313157
2-(5-Chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(6-piperazin-1-yl-3-pyridinyl)-3-pyridinyl]-1,8-naphthyridine;2-(2,5-difluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine;4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine
CID 157139148
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 157335128

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172950770) is N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CC1=CC(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)=NC1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccn[nH]2)c1.Cc1cn[nH]c1-c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cccnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(-c4ccn[nH]4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccnc4)c3)cn2)nc1N1CCOCC1.
What is the InChIKey of N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is JIJRKZYZUDPIQX-CQLUXIIWSA-N. The full InChI is InChI=1S/C26H22F4N8O.C25H24ClFN8O.C25H23FN8O.C24H23ClFN9O.C24H24FN9O.C23H21ClFN9O/c27-23-16-33-25(36-24(23)38-6-8-39-9-7-38)37-34-15-20-3-4-21(14-32-20)35-22-11-18(17-2-1-5-31-13-17)10-19(12-22)26(28,29)30;1-16-10-23(29-12-16)20-5-4-17(11-21(20)26)32-19-3-2-18(28-13-19)14-31-34-25-30-15-22(27)24(33-25)35-6-8-36-9-7-35;26-23-17-29-25(32-24(23)34-9-11-35-12-10-34)33-30-16-21-6-7-22(15-28-21)31-20-5-1-3-18(13-20)19-4-2-8-27-14-19;1-15-11-29-33-22(15)19-5-4-16(10-20(19)25)31-18-3-2-17(27-12-18)13-30-34-24-28-14-21(26)23(32-24)35-6-8-36-9-7-35;1-16-10-17(22-4-5-28-32-22)12-20(11-16)30-19-3-2-18(26-13-19)14-29-33-24-27-15-21(25)23(31-24)34-6-8-35-9-7-34;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/h1-5,10-16,35H,6-9H2,(H,33,36,37);2-5,10-11,13-15,32H,6-9,12H2,1H3,(H,30,33,34);1-8,13-17,31H,9-12H2,(H,29,32,33);2-5,10-14,31H,6-9H2,1H3,(H,29,33)(H,28,32,34);2-5,10-15,30H,6-9H2,1H3,(H,28,32)(H,27,31,33);1-6,11-14,30H,7-10H2,(H,28,32)(H,27,31,33)/b34-15+;31-14+;30-16+;30-13+;29-14+;29-13+.
What are the key properties of N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2991.40 g/mol, XLogP of 25.86, 42 rotatable bonds, 15 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-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;5-fluoro-N-[(E)-[5-[3-methyl-5-(1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172950770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).