N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C149H165Cl2F9N46O7S — CID 172947814

IUPACN-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC1CCN(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)C1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1C1CCCS1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1N1CCCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CCCNC4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CCCO4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(N4CCCC4)cc3)cn2)nc1N1CCOCC1
InChIInChI=1S/C26H28F4N8O.C25H28ClFN8O.C25H29FN8O.C25H28FN7OS.C24H25ClFN7O2.C24H27FN8O/c27-23-16-33-25(36-24(23)38-8-10-39-11-9-38)37-34-15-19-3-4-20(14-32-19)35-18-5-6-21(17-2-1-7-31-13-17)22(12-18)26(28,29)30;1-17-6-7-35(16-17)23-5-4-18(12-21(23)26)31-20-3-2-19(28-13-20)14-30-33-25-29-15-22(27)24(32-25)34-8-10-36-11-9-34;1-18-14-19(6-7-23(18)33-8-2-3-9-33)30-21-5-4-20(27-15-21)16-29-32-25-28-17-22(26)24(31-25)34-10-12-35-13-11-34;1-17-13-18(6-7-21(17)23-3-2-12-35-23)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-8-10-34-11-9-33;25-20-12-16(5-6-19(20)22-2-1-9-35-22)30-18-4-3-17(27-13-18)14-29-32-24-28-15-21(26)23(31-24)33-7-10-34-11-8-33;25-22-17-27-24(30-23(22)33-11-13-34-14-12-33)31-28-16-19-3-4-20(15-26-19)29-18-5-7-21(8-6-18)32-9-1-2-10-32/h3-6,12,14-17,31,35H,1-2,7-11,13H2,(H,33,36,37);2-5,12-15,17,31H,6-11,16H2,1H3,(H,29,32,33);4-7,14-17,30H,2-3,8-13H2,1H3,(H,28,31,32);4-7,13-16,23,30H,2-3,8-12H2,1H3,(H,28,31,32);3-6,12-15,22,30H,1-2,7-11H2,(H,28,31,32);3-8,15-17,29H,1-2,9-14H2,(H,27,30,31)/b34-15+;30-14+;29-16+;29-15+;29-14+;28-16+
InChIKeyIIAAKJCPBWBPMA-VXAQBDSLSA-N
MW2986.23 g/mol
LogP26.10
Rot. Bonds42

About N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine

N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172947814) has the molecular formula C149H165Cl2F9N46O7S and a molecular weight of 2986.23 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172947814
Molecular FormulaC149H165Cl2F9N46O7S
Molecular Weight2986.23 g/mol
Exact Mass2983.29
IUPAC NameN-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC1CCN(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)C1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1C1CCCS1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1N1CCCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CCCNC4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CCCO4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(N4CCCC4)cc3)cn2)nc1N1CCOCC1
InChIInChI=1S/C26H28F4N8O.C25H28ClFN8O.C25H29FN8O.C25H28FN7OS.C24H25ClFN7O2.C24H27FN8O/c27-23-16-33-25(36-24(23)38-8-10-39-11-9-38)37-34-15-19-3-4-20(14-32-19)35-18-5-6-21(17-2-1-7-31-13-17)22(12-18)26(28,29)30;1-17-6-7-35(16-17)23-5-4-18(12-21(23)26)31-20-3-2-19(28-13-20)14-30-33-25-29-15-22(27)24(32-25)34-8-10-36-11-9-34;1-18-14-19(6-7-23(18)33-8-2-3-9-33)30-21-5-4-20(27-15-21)16-29-32-25-28-17-22(26)24(31-25)34-10-12-35-13-11-34;1-17-13-18(6-7-21(17)23-3-2-12-35-23)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-8-10-34-11-9-33;25-20-12-16(5-6-19(20)22-2-1-9-35-22)30-18-4-3-17(27-13-18)14-29-32-24-28-15-21(26)23(31-24)33-7-10-34-11-8-33;25-22-17-27-24(30-23(22)33-11-13-34-14-12-33)31-28-16-19-3-4-20(15-26-19)29-18-5-7-21(8-6-18)32-9-1-2-10-32/h3-6,12,14-17,31,35H,1-2,7-11,13H2,(H,33,36,37);2-5,12-15,17,31H,6-11,16H2,1H3,(H,29,32,33);4-7,14-17,30H,2-3,8-13H2,1H3,(H,28,31,32);4-7,13-16,23,30H,2-3,8-12H2,1H3,(H,28,31,32);3-6,12-15,22,30H,1-2,7-11H2,(H,28,31,32);3-8,15-17,29H,1-2,9-14H2,(H,27,30,31)/b34-15+;30-14+;29-16+;29-15+;29-14+;28-16+
InChIKeyIIAAKJCPBWBPMA-VXAQBDSLSA-N
XLogP26.10
TPSA556.34 Ų
H-Bond Donors13
H-Bond Acceptors54
Rotatable Bonds42
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002986.23
LogP ≤ 526.10
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 172944083
5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-4-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172932503
5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 16739447
N-[(E)-[5-(2-chloro-6-methyl-4-morpholin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876898
5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-[3-piperidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 91000313
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
5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine
CID 172959526
5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrazol-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 58877256
3-N-(3-chloro-5-methylphenyl)-1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]benzene-1,3-diamine
CID 143430933
3-[[4-[[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]methyl]phenol
CID 70951265
N-[(E)-[5-(2-chloro-6-methyl-4-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrimidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-pyrimidin-4-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-pyrimidin-5-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172966909
N-[(Z)-[4-(2-chloro-6-methylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876846

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172947814) is N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CC1CCN(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)C1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1C1CCCS1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1N1CCCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CCCNC4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CCCO4)c(Cl)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(N4CCCC4)cc3)cn2)nc1N1CCOCC1.
What is the InChIKey of N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is IIAAKJCPBWBPMA-VXAQBDSLSA-N. The full InChI is InChI=1S/C26H28F4N8O.C25H28ClFN8O.C25H29FN8O.C25H28FN7OS.C24H25ClFN7O2.C24H27FN8O/c27-23-16-33-25(36-24(23)38-8-10-39-11-9-38)37-34-15-19-3-4-20(14-32-19)35-18-5-6-21(17-2-1-7-31-13-17)22(12-18)26(28,29)30;1-17-6-7-35(16-17)23-5-4-18(12-21(23)26)31-20-3-2-19(28-13-20)14-30-33-25-29-15-22(27)24(32-25)34-8-10-36-11-9-34;1-18-14-19(6-7-23(18)33-8-2-3-9-33)30-21-5-4-20(27-15-21)16-29-32-25-28-17-22(26)24(31-25)34-10-12-35-13-11-34;1-17-13-18(6-7-21(17)23-3-2-12-35-23)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-8-10-34-11-9-33;25-20-12-16(5-6-19(20)22-2-1-9-35-22)30-18-4-3-17(27-13-18)14-29-32-24-28-15-21(26)23(31-24)33-7-10-34-11-8-33;25-22-17-27-24(30-23(22)33-11-13-34-14-12-33)31-28-16-19-3-4-20(15-26-19)29-18-5-7-21(8-6-18)32-9-1-2-10-32/h3-6,12,14-17,31,35H,1-2,7-11,13H2,(H,33,36,37);2-5,12-15,17,31H,6-11,16H2,1H3,(H,29,32,33);4-7,14-17,30H,2-3,8-13H2,1H3,(H,28,31,32);4-7,13-16,23,30H,2-3,8-12H2,1H3,(H,28,31,32);3-6,12-15,22,30H,1-2,7-11H2,(H,28,31,32);3-8,15-17,29H,1-2,9-14H2,(H,27,30,31)/b34-15+;30-14+;29-16+;29-15+;29-14+;28-16+.
What are the key properties of N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2986.23 g/mol, XLogP of 26.10, 42 rotatable bonds, 13 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[3-chloro-4-(3-methylpyrrolidin-1-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(oxolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-4-(thiolan-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperidin-3-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172947814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).