4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone

C212H236ClN57O23S12 — CID 159749114

IUPAC4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone
SMILESCCOC(=O)C1CCC(CNc2nc(Sc3cccnc3)nc3[nH]c(CC)c(C=O)c23)O1.CCOc1nc(Sc2cccnc2)nc2[nH]c(CC)c(C=O)c12.CCc1[nH]c2nc(SC)nc(Cl)c2c1C=O.CCc1[nH]c2nc(Sc3cc(C(N)=O)ccn3)nc(NC[C@H](C)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccc(C(=O)O)c3)nc(NC[C@H](C)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(CC3CCCC[C@@H]3N)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N(C)C)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N(C)CCN(C)C)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC(C)C)c2c1C(C)=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC3CC4CCC3C4)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC[C@H](C)O)c2c1CO.CCc1[nH]c2nc(Sc3cccnc3)nc(OC)c2c1C=O
InChIInChI=1S/C22H25N5O4S.C21H23N5OS.C21H25N5OS.C19H24N6OS.C19H20N4O4S.C18H20N6O3S.C18H21N5OS.C17H21N5O2S.C16H17N5OS.C16H16N4O2S.C15H14N4O2S.C10H10ClN3OS/c1-3-16-15(12-28)18-19(24-10-13-7-8-17(31-13)21(29)30-4-2)26-22(27-20(18)25-16)32-14-6-5-9-23-11-14;1-2-16-15(11-27)18-19(23-16)25-21(28-14-4-3-7-22-10-14)26-20(18)24-17-9-12-5-6-13(17)8-12;1-2-17-15(12-27)19-18(10-13-6-3-4-8-16(13)22)25-21(26-20(19)24-17)28-14-7-5-9-23-11-14;1-5-15-14(12-26)16-17(21-15)22-19(27-13-7-6-8-20-11-13)23-18(16)25(4)10-9-24(2)3;1-3-14-13(9-24)15-16(20-8-10(2)25)22-19(23-17(15)21-14)28-12-6-4-5-11(7-12)18(26)27;1-3-12-11(8-25)14-16(21-7-9(2)26)23-18(24-17(14)22-12)28-13-6-10(15(19)27)4-5-20-13;1-5-13-14(11(4)24)15-16(20-10(2)3)22-18(23-17(15)21-13)25-12-7-6-8-19-9-12;1-3-13-12(9-23)14-15(19-7-10(2)24)21-17(22-16(14)20-13)25-11-5-4-6-18-8-11;1-4-12-11(9-22)13-14(18-12)19-16(20-15(13)21(2)3)23-10-6-5-7-17-8-10;1-3-12-11(9-21)13-14(18-12)19-16(20-15(13)22-4-2)23-10-6-5-7-17-8-10;1-3-11-10(8-20)12-13(17-11)18-15(19-14(12)21-2)22-9-5-4-6-16-7-9;1-3-6-5(4-15)7-8(11)13-10(16-2)14-9(7)12-6/h5-6,9,11-13,17H,3-4,7-8,10H2,1-2H3,(H2,24,25,26,27);3-4,7,10-13,17H,2,5-6,8-9H2,1H3,(H2,23,24,25,26);5,7,9,11-13,16H,2-4,6,8,10,22H2,1H3,(H,24,25,26);6-8,11-12H,5,9-10H2,1-4H3,(H,21,22,23);4-7,9-10,25H,3,8H2,1-2H3,(H,26,27)(H2,20,21,22,23);4-6,8-9,26H,3,7H2,1-2H3,(H2,19,27)(H2,21,22,23,24);6-10H,5H2,1-4H3,(H2,20,21,22,23);4-6,8,10,23-24H,3,7,9H2,1-2H3,(H2,19,20,21,22);5-9H,4H2,1-3H3,(H,18,19,20);5-9H,3-4H2,1-2H3,(H,18,19,20);4-8H,3H2,1-2H3,(H,17,18,19);4H,3H2,1-2H3,(H,12,13,14)/t;;13?,16-;;10-;9-;;10-;;;;/m..0.00.0..../s1
InChIKeyNDKSIWOLVMPGGX-SUPOCERMSA-N
MW4370.85 g/mol
LogP37.70
Rot. Bonds77

About 4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone

4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone (PubChem CID 159749114) has the molecular formula C212H236ClN57O23S12 and a molecular weight of 4370.85 g/mol. Its IUPAC name is 4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone
PubChem CID159749114
Molecular FormulaC212H236ClN57O23S12
Molecular Weight4370.85 g/mol
Exact Mass4366.54
IUPAC Name4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone
SMILESCCOC(=O)C1CCC(CNc2nc(Sc3cccnc3)nc3[nH]c(CC)c(C=O)c23)O1.CCOc1nc(Sc2cccnc2)nc2[nH]c(CC)c(C=O)c12.CCc1[nH]c2nc(SC)nc(Cl)c2c1C=O.CCc1[nH]c2nc(Sc3cc(C(N)=O)ccn3)nc(NC[C@H](C)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccc(C(=O)O)c3)nc(NC[C@H](C)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(CC3CCCC[C@@H]3N)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N(C)C)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N(C)CCN(C)C)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC(C)C)c2c1C(C)=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC3CC4CCC3C4)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC[C@H](C)O)c2c1CO.CCc1[nH]c2nc(Sc3cccnc3)nc(OC)c2c1C=O
InChIInChI=1S/C22H25N5O4S.C21H23N5OS.C21H25N5OS.C19H24N6OS.C19H20N4O4S.C18H20N6O3S.C18H21N5OS.C17H21N5O2S.C16H17N5OS.C16H16N4O2S.C15H14N4O2S.C10H10ClN3OS/c1-3-16-15(12-28)18-19(24-10-13-7-8-17(31-13)21(29)30-4-2)26-22(27-20(18)25-16)32-14-6-5-9-23-11-14;1-2-16-15(11-27)18-19(23-16)25-21(28-14-4-3-7-22-10-14)26-20(18)24-17-9-12-5-6-13(17)8-12;1-2-17-15(12-27)19-18(10-13-6-3-4-8-16(13)22)25-21(26-20(19)24-17)28-14-7-5-9-23-11-14;1-5-15-14(12-26)16-17(21-15)22-19(27-13-7-6-8-20-11-13)23-18(16)25(4)10-9-24(2)3;1-3-14-13(9-24)15-16(20-8-10(2)25)22-19(23-17(15)21-14)28-12-6-4-5-11(7-12)18(26)27;1-3-12-11(8-25)14-16(21-7-9(2)26)23-18(24-17(14)22-12)28-13-6-10(15(19)27)4-5-20-13;1-5-13-14(11(4)24)15-16(20-10(2)3)22-18(23-17(15)21-13)25-12-7-6-8-19-9-12;1-3-13-12(9-23)14-15(19-7-10(2)24)21-17(22-16(14)20-13)25-11-5-4-6-18-8-11;1-4-12-11(9-22)13-14(18-12)19-16(20-15(13)21(2)3)23-10-6-5-7-17-8-10;1-3-12-11(9-21)13-14(18-12)19-16(20-15(13)22-4-2)23-10-6-5-7-17-8-10;1-3-11-10(8-20)12-13(17-11)18-15(19-14(12)21-2)22-9-5-4-6-16-7-9;1-3-6-5(4-15)7-8(11)13-10(16-2)14-9(7)12-6/h5-6,9,11-13,17H,3-4,7-8,10H2,1-2H3,(H2,24,25,26,27);3-4,7,10-13,17H,2,5-6,8-9H2,1H3,(H2,23,24,25,26);5,7,9,11-13,16H,2-4,6,8,10,22H2,1H3,(H,24,25,26);6-8,11-12H,5,9-10H2,1-4H3,(H,21,22,23);4-7,9-10,25H,3,8H2,1-2H3,(H,26,27)(H2,20,21,22,23);4-6,8-9,26H,3,7H2,1-2H3,(H2,19,27)(H2,21,22,23,24);6-10H,5H2,1-4H3,(H2,20,21,22,23);4-6,8,10,23-24H,3,7,9H2,1-2H3,(H2,19,20,21,22);5-9H,4H2,1-3H3,(H,18,19,20);5-9H,3-4H2,1-2H3,(H,18,19,20);4-8H,3H2,1-2H3,(H,17,18,19);4H,3H2,1-2H3,(H,12,13,14)/t;;13?,16-;;10-;9-;;10-;;;;/m..0.00.0..../s1
InChIKeyNDKSIWOLVMPGGX-SUPOCERMSA-N
XLogP37.70
TPSA1138.73 Ų
H-Bond Donors25
H-Bond Acceptors78
Rotatable Bonds77
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004370.85
LogP ≤ 537.70
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1078

Analyze 4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone with MolForge

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What is the IUPAC name of 4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone?
The IUPAC name of 4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone (CID 159749114) is 4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone?
The canonical SMILES for 4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone is CCOC(=O)C1CCC(CNc2nc(Sc3cccnc3)nc3[nH]c(CC)c(C=O)c23)O1.CCOc1nc(Sc2cccnc2)nc2[nH]c(CC)c(C=O)c12.CCc1[nH]c2nc(SC)nc(Cl)c2c1C=O.CCc1[nH]c2nc(Sc3cc(C(N)=O)ccn3)nc(NC[C@H](C)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccc(C(=O)O)c3)nc(NC[C@H](C)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(CC3CCCC[C@@H]3N)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N(C)C)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N(C)CCN(C)C)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC(C)C)c2c1C(C)=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC3CC4CCC3C4)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC[C@H](C)O)c2c1CO.CCc1[nH]c2nc(Sc3cccnc3)nc(OC)c2c1C=O.
What is the InChIKey of 4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone?
The InChIKey is NDKSIWOLVMPGGX-SUPOCERMSA-N. The full InChI is InChI=1S/C22H25N5O4S.C21H23N5OS.C21H25N5OS.C19H24N6OS.C19H20N4O4S.C18H20N6O3S.C18H21N5OS.C17H21N5O2S.C16H17N5OS.C16H16N4O2S.C15H14N4O2S.C10H10ClN3OS/c1-3-16-15(12-28)18-19(24-10-13-7-8-17(31-13)21(29)30-4-2)26-22(27-20(18)25-16)32-14-6-5-9-23-11-14;1-2-16-15(11-27)18-19(23-16)25-21(28-14-4-3-7-22-10-14)26-20(18)24-17-9-12-5-6-13(17)8-12;1-2-17-15(12-27)19-18(10-13-6-3-4-8-16(13)22)25-21(26-20(19)24-17)28-14-7-5-9-23-11-14;1-5-15-14(12-26)16-17(21-15)22-19(27-13-7-6-8-20-11-13)23-18(16)25(4)10-9-24(2)3;1-3-14-13(9-24)15-16(20-8-10(2)25)22-19(23-17(15)21-14)28-12-6-4-5-11(7-12)18(26)27;1-3-12-11(8-25)14-16(21-7-9(2)26)23-18(24-17(14)22-12)28-13-6-10(15(19)27)4-5-20-13;1-5-13-14(11(4)24)15-16(20-10(2)3)22-18(23-17(15)21-13)25-12-7-6-8-19-9-12;1-3-13-12(9-23)14-15(19-7-10(2)24)21-17(22-16(14)20-13)25-11-5-4-6-18-8-11;1-4-12-11(9-22)13-14(18-12)19-16(20-15(13)21(2)3)23-10-6-5-7-17-8-10;1-3-12-11(9-21)13-14(18-12)19-16(20-15(13)22-4-2)23-10-6-5-7-17-8-10;1-3-11-10(8-20)12-13(17-11)18-15(19-14(12)21-2)22-9-5-4-6-16-7-9;1-3-6-5(4-15)7-8(11)13-10(16-2)14-9(7)12-6/h5-6,9,11-13,17H,3-4,7-8,10H2,1-2H3,(H2,24,25,26,27);3-4,7,10-13,17H,2,5-6,8-9H2,1H3,(H2,23,24,25,26);5,7,9,11-13,16H,2-4,6,8,10,22H2,1H3,(H,24,25,26);6-8,11-12H,5,9-10H2,1-4H3,(H,21,22,23);4-7,9-10,25H,3,8H2,1-2H3,(H,26,27)(H2,20,21,22,23);4-6,8-9,26H,3,7H2,1-2H3,(H2,19,27)(H2,21,22,23,24);6-10H,5H2,1-4H3,(H2,20,21,22,23);4-6,8,10,23-24H,3,7,9H2,1-2H3,(H2,19,20,21,22);5-9H,4H2,1-3H3,(H,18,19,20);5-9H,3-4H2,1-2H3,(H,18,19,20);4-8H,3H2,1-2H3,(H,17,18,19);4H,3H2,1-2H3,(H,12,13,14)/t;;13?,16-;;10-;9-;;10-;;;;/m..0.00.0..../s1.
What are the key properties of 4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone?
4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone has a molecular weight of 4370.85 g/mol, XLogP of 37.70, 77 rotatable bonds, 25 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-aminocyclohexyl]methyl]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-bicyclo[2.2.1]heptanylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-[2-(dimethylamino)ethyl-methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;ethyl 5-[[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylate;3-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]benzoic acid;2-[[6-ethyl-5-formyl-4-[[(2S)-2-hydroxypropyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyridine-4-carboxamide;(2S)-1-[[6-ethyl-5-(hydroxymethyl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[6-ethyl-4-(propan-2-ylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 159749114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).