(E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

C137H142F6N32O16S — CID 161067446

IUPAC(E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccc(Nc2nc(Nc3ccc(OC)nc3)ncc2F)cc1.C=CC(=O)N(C)Cc1ccc(Oc2nc(Nc3ccc(OC)nc3)ncc2F)cc1.C=CC(=O)N(C)Cc1cccc(Nc2nc(Nc3cccc(OC)c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCC(C)(C)O)c3)ncc2F)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OCCCS(C)(=O)=O)c3)ncc2F)c1.Cc1cccc(Nc2nc(Nc3cccc(NC(=O)/C=C/CN4C[C@@H](C)N[C@@H](C)C4)c3)ncc2F)c1
InChIInChI=1S/C27H32FN7O.C23H24FN5O3.C23H23FN4O5S.C22H22FN5O2.C21H21FN6O2.C21H20FN5O3/c1-18-7-4-8-21(13-18)32-26-24(28)15-29-27(34-26)33-23-10-5-9-22(14-23)31-25(36)11-6-12-35-16-19(2)30-20(3)17-35;1-4-20(30)26-15-7-5-8-16(11-15)27-21-19(24)13-25-22(29-21)28-17-9-6-10-18(12-17)32-14-23(2,3)31;1-3-21(29)26-16-7-5-10-19(14-16)33-22-20(24)15-25-23(28-22)27-17-8-4-9-18(13-17)32-11-6-12-34(2,30)31;1-4-20(29)28(2)14-15-7-5-8-16(11-15)25-21-19(23)13-24-22(27-21)26-17-9-6-10-18(12-17)30-3;1-4-19(29)28(2)13-14-5-7-15(8-6-14)25-20-17(22)12-24-21(27-20)26-16-9-10-18(30-3)23-11-16;1-4-19(28)27(2)13-14-5-8-16(9-6-14)30-20-17(22)12-24-21(26-20)25-15-7-10-18(29-3)23-11-15/h4-11,13-15,19-20,30H,12,16-17H2,1-3H3,(H,31,36)(H2,29,32,33,34);4-13,31H,1,14H2,2-3H3,(H,26,30)(H2,25,27,28,29);3-5,7-10,13-15H,1,6,11-12H2,2H3,(H,26,29)(H,25,27,28);4-13H,1,14H2,2-3H3,(H2,24,25,26,27);4-12H,1,13H2,2-3H3,(H2,24,25,26,27);4-12H,1,13H2,2-3H3,(H,24,25,26)/b11-6+;;;;;/t19-,20+;;;;;
InChIKeyUEFCRQPWQBBLKC-NCUGGNSDSA-N
MW2638.91 g/mol
LogP24.66
Rot. Bonds52

About (E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

(E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide (PubChem CID 161067446) has the molecular formula C137H142F6N32O16S and a molecular weight of 2638.91 g/mol. Its IUPAC name is (E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
PubChem CID161067446
Molecular FormulaC137H142F6N32O16S
Molecular Weight2638.91 g/mol
Exact Mass2637.09
IUPAC Name(E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccc(Nc2nc(Nc3ccc(OC)nc3)ncc2F)cc1.C=CC(=O)N(C)Cc1ccc(Oc2nc(Nc3ccc(OC)nc3)ncc2F)cc1.C=CC(=O)N(C)Cc1cccc(Nc2nc(Nc3cccc(OC)c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCC(C)(C)O)c3)ncc2F)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OCCCS(C)(=O)=O)c3)ncc2F)c1.Cc1cccc(Nc2nc(Nc3cccc(NC(=O)/C=C/CN4C[C@@H](C)N[C@@H](C)C4)c3)ncc2F)c1
InChIInChI=1S/C27H32FN7O.C23H24FN5O3.C23H23FN4O5S.C22H22FN5O2.C21H21FN6O2.C21H20FN5O3/c1-18-7-4-8-21(13-18)32-26-24(28)15-29-27(34-26)33-23-10-5-9-22(14-23)31-25(36)11-6-12-35-16-19(2)30-20(3)17-35;1-4-20(30)26-15-7-5-8-16(11-15)27-21-19(24)13-25-22(29-21)28-17-9-6-10-18(12-17)32-14-23(2,3)31;1-3-21(29)26-16-7-5-10-19(14-16)33-22-20(24)15-25-23(28-22)27-17-8-4-9-18(13-17)32-11-6-12-34(2,30)31;1-4-20(29)28(2)14-15-7-5-8-16(11-15)25-21-19(23)13-24-22(27-21)26-17-9-6-10-18(12-17)30-3;1-4-19(29)28(2)13-14-5-7-15(8-6-14)25-20-17(22)12-24-21(27-20)26-16-9-10-18(30-3)23-11-16;1-4-19(28)27(2)13-14-5-8-16(9-6-14)30-20-17(22)12-24-21(26-20)25-15-7-10-18(29-3)23-11-15/h4-11,13-15,19-20,30H,12,16-17H2,1-3H3,(H,31,36)(H2,29,32,33,34);4-13,31H,1,14H2,2-3H3,(H,26,30)(H2,25,27,28,29);3-5,7-10,13-15H,1,6,11-12H2,2H3,(H,26,29)(H,25,27,28);4-13H,1,14H2,2-3H3,(H2,24,25,26,27);4-12H,1,13H2,2-3H3,(H2,24,25,26,27);4-12H,1,13H2,2-3H3,(H,24,25,26)/b11-6+;;;;;/t19-,20+;;;;;
InChIKeyUEFCRQPWQBBLKC-NCUGGNSDSA-N
XLogP24.66
TPSA583.24 Ų
H-Bond Donors15
H-Bond Acceptors42
Rotatable Bonds52
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002638.91
LogP ≤ 524.66
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide?
The IUPAC name of (E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide (CID 161067446) is (E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide is C=CC(=O)N(C)Cc1ccc(Nc2nc(Nc3ccc(OC)nc3)ncc2F)cc1.C=CC(=O)N(C)Cc1ccc(Oc2nc(Nc3ccc(OC)nc3)ncc2F)cc1.C=CC(=O)N(C)Cc1cccc(Nc2nc(Nc3cccc(OC)c3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCC(C)(C)O)c3)ncc2F)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OCCCS(C)(=O)=O)c3)ncc2F)c1.Cc1cccc(Nc2nc(Nc3cccc(NC(=O)/C=C/CN4C[C@@H](C)N[C@@H](C)C4)c3)ncc2F)c1.
What is the InChIKey of (E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide?
The InChIKey is UEFCRQPWQBBLKC-NCUGGNSDSA-N. The full InChI is InChI=1S/C27H32FN7O.C23H24FN5O3.C23H23FN4O5S.C22H22FN5O2.C21H21FN6O2.C21H20FN5O3/c1-18-7-4-8-21(13-18)32-26-24(28)15-29-27(34-26)33-23-10-5-9-22(14-23)31-25(36)11-6-12-35-16-19(2)30-20(3)17-35;1-4-20(30)26-15-7-5-8-16(11-15)27-21-19(24)13-25-22(29-21)28-17-9-6-10-18(12-17)32-14-23(2,3)31;1-3-21(29)26-16-7-5-10-19(14-16)33-22-20(24)15-25-23(28-22)27-17-8-4-9-18(13-17)32-11-6-12-34(2,30)31;1-4-20(29)28(2)14-15-7-5-8-16(11-15)25-21-19(23)13-24-22(27-21)26-17-9-6-10-18(12-17)30-3;1-4-19(29)28(2)13-14-5-7-15(8-6-14)25-20-17(22)12-24-21(27-20)26-16-9-10-18(30-3)23-11-16;1-4-19(28)27(2)13-14-5-8-16(9-6-14)30-20-17(22)12-24-21(26-20)25-15-7-10-18(29-3)23-11-15/h4-11,13-15,19-20,30H,12,16-17H2,1-3H3,(H,31,36)(H2,29,32,33,34);4-13,31H,1,14H2,2-3H3,(H,26,30)(H2,25,27,28,29);3-5,7-10,13-15H,1,6,11-12H2,2H3,(H,26,29)(H,25,27,28);4-13H,1,14H2,2-3H3,(H2,24,25,26,27);4-12H,1,13H2,2-3H3,(H2,24,25,26,27);4-12H,1,13H2,2-3H3,(H,24,25,26)/b11-6+;;;;;/t19-,20+;;;;;.
What are the key properties of (E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide?
(E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide has a molecular weight of 2638.91 g/mol, XLogP of 24.66, 52 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]but-2-enamide;N-[3-[[5-fluoro-2-[3-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[3-[[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;N-[3-[5-fluoro-2-[3-(3-methylsulfonylpropoxy)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide is sourced from PubChem (CID 161067446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).