(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide

C143H149FN30O13S — CID 157250256

IUPAC(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)Nc1ccc(-c2nc3c(N[C@H](COCc4cccc(F)c4)c4ccccc4)ncnc3o2)cc1.COC[C@@H](Nc1ncnc2nc(-c3ccc(NC(=O)/C=C/CN(C)C)cc3)[nH]c12)c1ccccc1.COC[C@@H](Nc1ncnc2oc(-c3ccc(NC(=O)/C=C/CN(C)C)cc3)nc12)c1ccccc1.COC[C@@H](Nc1ncnc2oc(-c3cccc(NC(=O)/C=C/CN(C)C)c3)c(-c3ccccc3)c12)c1ccccc1.COC[C@@H](Nc1ncnc2sc(-c3ccc(NC(=O)/C=C/CN(C)C)cc3)nc12)c1ccccc1
InChIInChI=1S/C33H33N5O3.C32H31FN6O3.C26H29N7O2.C26H28N6O3.C26H28N6O2S/c1-38(2)19-11-18-28(39)36-26-17-10-16-25(20-26)31-29(24-14-8-5-9-15-24)30-32(34-22-35-33(30)41-31)37-27(21-40-3)23-12-6-4-7-13-23;1-39(2)17-7-12-28(40)36-26-15-13-24(14-16-26)31-38-29-30(34-21-35-32(29)42-31)37-27(23-9-4-3-5-10-23)20-41-19-22-8-6-11-25(33)18-22;1-33(2)15-7-10-22(34)29-20-13-11-19(12-14-20)24-31-23-25(27-17-28-26(23)32-24)30-21(16-35-3)18-8-5-4-6-9-18;2*1-32(2)15-7-10-22(33)29-20-13-11-19(12-14-20)25-31-23-24(27-17-28-26(23)35-25)30-21(16-34-3)18-8-5-4-6-9-18/h4-18,20,22,27H,19,21H2,1-3H3,(H,36,39)(H,34,35,37);3-16,18,21,27H,17,19-20H2,1-2H3,(H,36,40)(H,34,35,37);4-14,17,21H,15-16H2,1-3H3,(H,29,34)(H2,27,28,30,31,32);2*4-14,17,21H,15-16H2,1-3H3,(H,29,33)(H,27,28,30)/b18-11+;12-7+;3*10-7+/t2*27-;3*21-/m11111/s1
InChIKeyAWGHWURHVBARKE-YYJPAMEUSA-N
MW2547.03 g/mol
LogP24.89
Rot. Bonds53

About (E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide

(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide (PubChem CID 157250256) has the molecular formula C143H149FN30O13S and a molecular weight of 2547.03 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide
PubChem CID157250256
Molecular FormulaC143H149FN30O13S
Molecular Weight2547.03 g/mol
Exact Mass2545.16
IUPAC Name(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)Nc1ccc(-c2nc3c(N[C@H](COCc4cccc(F)c4)c4ccccc4)ncnc3o2)cc1.COC[C@@H](Nc1ncnc2nc(-c3ccc(NC(=O)/C=C/CN(C)C)cc3)[nH]c12)c1ccccc1.COC[C@@H](Nc1ncnc2oc(-c3ccc(NC(=O)/C=C/CN(C)C)cc3)nc12)c1ccccc1.COC[C@@H](Nc1ncnc2oc(-c3cccc(NC(=O)/C=C/CN(C)C)c3)c(-c3ccccc3)c12)c1ccccc1.COC[C@@H](Nc1ncnc2sc(-c3ccc(NC(=O)/C=C/CN(C)C)cc3)nc12)c1ccccc1
InChIInChI=1S/C33H33N5O3.C32H31FN6O3.C26H29N7O2.C26H28N6O3.C26H28N6O2S/c1-38(2)19-11-18-28(39)36-26-17-10-16-25(20-26)31-29(24-14-8-5-9-15-24)30-32(34-22-35-33(30)41-31)37-27(21-40-3)23-12-6-4-7-13-23;1-39(2)17-7-12-28(40)36-26-15-13-24(14-16-26)31-38-29-30(34-21-35-32(29)42-31)37-27(23-9-4-3-5-10-23)20-41-19-22-8-6-11-25(33)18-22;1-33(2)15-7-10-22(34)29-20-13-11-19(12-14-20)24-31-23-25(27-17-28-26(23)32-24)30-21(16-35-3)18-8-5-4-6-9-18;2*1-32(2)15-7-10-22(33)29-20-13-11-19(12-14-20)25-31-23-24(27-17-28-26(23)35-25)30-21(16-34-3)18-8-5-4-6-9-18/h4-18,20,22,27H,19,21H2,1-3H3,(H,36,39)(H,34,35,37);3-16,18,21,27H,17,19-20H2,1-2H3,(H,36,40)(H,34,35,37);4-14,17,21H,15-16H2,1-3H3,(H,29,34)(H2,27,28,30,31,32);2*4-14,17,21H,15-16H2,1-3H3,(H,29,33)(H,27,28,30)/b18-11+;12-7+;3*10-7+/t2*27-;3*21-/m11111/s1
InChIKeyAWGHWURHVBARKE-YYJPAMEUSA-N
XLogP24.89
TPSA503.67 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds53
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002547.03
LogP ≤ 524.89
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze (E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

4-[2-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;2-[4-[[2-(2-cyano-1H-indol-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide;2-[[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]oxazolo[4,5-d]pyrimidine;2-methyl-2-[4-[[5-(2-methyl-1-benzofuran-3-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]propanamide
CID 157947850
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158885713
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159780650
N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-[4-(2,2,3-trifluorobutoxy)phenyl]-3-pyridinyl]formamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-methyl-4-phenyl-1,3-oxazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-4-methyl-5-phenyl-1,3-thiazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-methyl-4-phenyl-1,3-thiazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenyl-4-(trifluoromethyl)-1,3-oxazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-[4-(2,2,3-trifluorobutoxy)phenyl]pyridine-3-carboxamide
CID 160143860
1-[2-(1H-benzimidazol-2-yl)acetyl]-5,5-difluoro-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(1-benzofuran-2-yl)acetyl]-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-4-ylbenzoyl)piperidine-3-carboxamide;1-(3H-indole-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 161086765
4-(dimethylamino)-N-[4-[6-[[2-methoxy-1-[3-[[[4-[4-[7-[[2-methoxy-1-[3-[[[4-[4-[7-[(2-methoxy-1-phenylethyl)amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]anilino]-4-oxobut-2-enyl]-methylamino]methyl]phenyl]ethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]anilino]-4-oxobut-2-enyl]-methylamino]methyl]phenyl]ethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide
CID 91580814
4-[12-[[2-[4-[12-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]indol-1-yl]-1-oxo-1,4-thiazinan-4-yl]methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-1,3-dihydroindol-2-one
CID 126620995
(E)-4-(dimethylamino)-1-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-10,10-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-12,12-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-10,10,12,12-tetramethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide;N-[3-[4-[(2-methoxy-1-phenylethyl)-methylamino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
CID 157051831
4-[(2-chloroacetyl)amino]-N-[3-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(7H-cyclopenta[b]pyridin-3-yloxy)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]-4-(prop-2-enoylamino)benzamide;4-(prop-2-enoylamino)-N-[3-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-d]pyrimidin-2-yl]amino]phenyl]benzamide
CID 157073722
5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
CID 157156199
1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 157161981

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide (CID 157250256) is (E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide is CN(C)C/C=C/C(=O)Nc1ccc(-c2nc3c(N[C@H](COCc4cccc(F)c4)c4ccccc4)ncnc3o2)cc1.COC[C@@H](Nc1ncnc2nc(-c3ccc(NC(=O)/C=C/CN(C)C)cc3)[nH]c12)c1ccccc1.COC[C@@H](Nc1ncnc2oc(-c3ccc(NC(=O)/C=C/CN(C)C)cc3)nc12)c1ccccc1.COC[C@@H](Nc1ncnc2oc(-c3cccc(NC(=O)/C=C/CN(C)C)c3)c(-c3ccccc3)c12)c1ccccc1.COC[C@@H](Nc1ncnc2sc(-c3ccc(NC(=O)/C=C/CN(C)C)cc3)nc12)c1ccccc1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide?
The InChIKey is AWGHWURHVBARKE-YYJPAMEUSA-N. The full InChI is InChI=1S/C33H33N5O3.C32H31FN6O3.C26H29N7O2.C26H28N6O3.C26H28N6O2S/c1-38(2)19-11-18-28(39)36-26-17-10-16-25(20-26)31-29(24-14-8-5-9-15-24)30-32(34-22-35-33(30)41-31)37-27(21-40-3)23-12-6-4-7-13-23;1-39(2)17-7-12-28(40)36-26-15-13-24(14-16-26)31-38-29-30(34-21-35-32(29)42-31)37-27(23-9-4-3-5-10-23)20-41-19-22-8-6-11-25(33)18-22;1-33(2)15-7-10-22(34)29-20-13-11-19(12-14-20)24-31-23-25(27-17-28-26(23)32-24)30-21(16-35-3)18-8-5-4-6-9-18;2*1-32(2)15-7-10-22(33)29-20-13-11-19(12-14-20)25-31-23-24(27-17-28-26(23)35-25)30-21(16-34-3)18-8-5-4-6-9-18/h4-18,20,22,27H,19,21H2,1-3H3,(H,36,39)(H,34,35,37);3-16,18,21,27H,17,19-20H2,1-2H3,(H,36,40)(H,34,35,37);4-14,17,21H,15-16H2,1-3H3,(H,29,34)(H2,27,28,30,31,32);2*4-14,17,21H,15-16H2,1-3H3,(H,29,33)(H,27,28,30)/b18-11+;12-7+;3*10-7+/t2*27-;3*21-/m11111/s1.
What are the key properties of (E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide?
(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide has a molecular weight of 2547.03 g/mol, XLogP of 24.89, 53 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-methoxy-1-phenylethyl]amino]-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[6-[[(1S)-2-methoxy-1-phenylethyl]amino]-7H-purin-8-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[4-[7-[[(1S)-2-methoxy-1-phenylethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]but-2-enamide is sourced from PubChem (CID 157250256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).