N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide

C141H151F4N35O17 — CID 159161727

IUPACN-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide
SMILESC=CC(=O)N(C)Cc1ccc(Oc2nc(Nc3ccc(OC)nc3)ncc2F)cc1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCO)nc3)ncc2C(C)=O)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)nc3)ncc2C(C)=O)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCC(C)(C)O)c3)ncc2F)c1.COCCN(C)C/C=C/C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3cccc(NC(=O)/C=C/CN4C[C@@H](C)N[C@@H](C)C4)c3)ncc2F)c1
InChIInChI=1S/C27H32FN7O.C25H29FN6O2.C23H24FN5O3.C23H24N6O4.C22H22N6O4.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;1-18-7-4-8-19(15-18)29-24-22(26)17-27-25(31-24)30-21-10-5-9-20(16-21)28-23(33)11-6-12-32(2)13-14-34-3;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;1-4-20(31)26-16-6-5-7-17(12-16)27-22-19(15(2)30)14-25-23(29-22)28-18-8-9-21(24-13-18)33-11-10-32-3;1-3-19(31)25-15-5-4-6-16(11-15)26-21-18(14(2)30)13-24-22(28-21)27-17-7-8-20(23-12-17)32-10-9-29;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);4-11,15-17H,12-14H2,1-3H3,(H,28,33)(H2,27,29,30,31);4-13,31H,1,14H2,2-3H3,(H,26,30)(H2,25,27,28,29);4-9,12-14H,1,10-11H2,2-3H3,(H,26,31)(H2,25,27,28,29);3-8,11-13,29H,1,9-10H2,2H3,(H,25,31)(H2,24,26,27,28);4-12H,1,13H2,2-3H3,(H,24,25,26)/b2*11-6+;;;;/t19-,20+;;;;;
InChIKeyKKOMEULGBOTOSI-CSVQFKSDSA-N
MW2683.98 g/mol
LogP23.92
Rot. Bonds57

About N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide

N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide (PubChem CID 159161727) has the molecular formula C141H151F4N35O17 and a molecular weight of 2683.98 g/mol. Its IUPAC name is N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide.

Molecular Properties

Compound NameN-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide
PubChem CID159161727
Molecular FormulaC141H151F4N35O17
Molecular Weight2683.98 g/mol
Exact Mass2682.20
IUPAC NameN-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide
SMILESC=CC(=O)N(C)Cc1ccc(Oc2nc(Nc3ccc(OC)nc3)ncc2F)cc1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCO)nc3)ncc2C(C)=O)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)nc3)ncc2C(C)=O)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCC(C)(C)O)c3)ncc2F)c1.COCCN(C)C/C=C/C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3cccc(NC(=O)/C=C/CN4C[C@@H](C)N[C@@H](C)C4)c3)ncc2F)c1
InChIInChI=1S/C27H32FN7O.C25H29FN6O2.C23H24FN5O3.C23H24N6O4.C22H22N6O4.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;1-18-7-4-8-19(15-18)29-24-22(26)17-27-25(31-24)30-21-10-5-9-20(16-21)28-23(33)11-6-12-32(2)13-14-34-3;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;1-4-20(31)26-16-6-5-7-17(12-16)27-22-19(15(2)30)14-25-23(29-22)28-18-8-9-21(24-13-18)33-11-10-32-3;1-3-19(31)25-15-5-4-6-16(11-15)26-21-18(14(2)30)13-24-22(28-21)27-17-7-8-20(23-12-17)32-10-9-29;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);4-11,15-17H,12-14H2,1-3H3,(H,28,33)(H2,27,29,30,31);4-13,31H,1,14H2,2-3H3,(H,26,30)(H2,25,27,28,29);4-9,12-14H,1,10-11H2,2-3H3,(H,26,31)(H2,25,27,28,29);3-8,11-13,29H,1,9-10H2,2H3,(H,25,31)(H2,24,26,27,28);4-12H,1,13H2,2-3H3,(H,24,25,26)/b2*11-6+;;;;/t19-,20+;;;;;
InChIKeyKKOMEULGBOTOSI-CSVQFKSDSA-N
XLogP23.92
TPSA649.21 Ų
H-Bond Donors19
H-Bond Acceptors46
Rotatable Bonds57
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002683.98
LogP ≤ 523.92
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide?
The IUPAC name of N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide (CID 159161727) is N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide.
What is the SMILES notation for N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide?
The canonical SMILES for N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide is C=CC(=O)N(C)Cc1ccc(Oc2nc(Nc3ccc(OC)nc3)ncc2F)cc1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCO)nc3)ncc2C(C)=O)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)nc3)ncc2C(C)=O)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCC(C)(C)O)c3)ncc2F)c1.COCCN(C)C/C=C/C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)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 N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide?
The InChIKey is KKOMEULGBOTOSI-CSVQFKSDSA-N. The full InChI is InChI=1S/C27H32FN7O.C25H29FN6O2.C23H24FN5O3.C23H24N6O4.C22H22N6O4.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;1-18-7-4-8-19(15-18)29-24-22(26)17-27-25(31-24)30-21-10-5-9-20(16-21)28-23(33)11-6-12-32(2)13-14-34-3;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;1-4-20(31)26-16-6-5-7-17(12-16)27-22-19(15(2)30)14-25-23(29-22)28-18-8-9-21(24-13-18)33-11-10-32-3;1-3-19(31)25-15-5-4-6-16(11-15)26-21-18(14(2)30)13-24-22(28-21)27-17-7-8-20(23-12-17)32-10-9-29;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);4-11,15-17H,12-14H2,1-3H3,(H,28,33)(H2,27,29,30,31);4-13,31H,1,14H2,2-3H3,(H,26,30)(H2,25,27,28,29);4-9,12-14H,1,10-11H2,2-3H3,(H,26,31)(H2,25,27,28,29);3-8,11-13,29H,1,9-10H2,2H3,(H,25,31)(H2,24,26,27,28);4-12H,1,13H2,2-3H3,(H,24,25,26)/b2*11-6+;;;;/t19-,20+;;;;;.
What are the key properties of N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide?
N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide has a molecular weight of 2683.98 g/mol, XLogP of 23.92, 57 rotatable bonds, 19 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-acetyl-2-[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-acetyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;(E)-4-[(3S,5R)-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-[[4-[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]oxyphenyl]methyl]-N-methylprop-2-enamide;(E)-N-[3-[[5-fluoro-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-4-[2-methoxyethyl(methyl)amino]but-2-enamide is sourced from PubChem (CID 159161727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).