2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

C230H243Cl2N63O17S12 — CID 157432483

IUPAC2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESCCOCCNc1nc(Sc2cccnc2)nc2[nH]c(CC)c(C=O)c12.CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N(C)CCc3ccccn3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CCN(C(C)C)CC3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CCN(CC(=O)N(C)C)CC3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC(C)C)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC3CCCCC3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCCOc3ccccc3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC[C@H](C)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccc(C)o3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccccc3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3N)nc(Cl)c2c1C=O
InChIInChI=1S/C22H27N7O2S.C22H22N6OS.C22H21N5O2S.C21H26N6OS.C21H25N5OS.C21H19N5OS.C20H19N5O2S.C18H21N5O2S.C18H21N5OS.C17H19N5O2S.C14H12ClN5OS.C14H11ClN4OS/c1-4-17-16(14-30)19-20(24-17)25-22(32-15-6-5-7-23-12-15)26-21(19)29-10-8-28(9-11-29)13-18(31)27(2)3;1-3-18-17(14-29)19-20(25-18)26-22(30-16-8-6-10-23-13-16)27-21(19)28(2)12-9-15-7-4-5-11-24-15;1-2-18-17(14-28)19-20(24-11-12-29-15-7-4-3-5-8-15)26-22(27-21(19)25-18)30-16-9-6-10-23-13-16;1-4-17-16(13-28)18-19(23-17)24-21(29-15-6-5-7-22-12-15)25-20(18)27-10-8-26(9-11-27)14(2)3;2*1-2-17-16(13-27)18-19(23-11-14-7-4-3-5-8-14)25-21(26-20(18)24-17)28-15-9-6-10-22-12-15;1-3-16-15(11-26)17-18(22-9-13-7-6-12(2)27-13)24-20(25-19(17)23-16)28-14-5-4-8-21-10-14;1-3-14-13(11-24)15-16(20-8-9-25-4-2)22-18(23-17(15)21-14)26-12-6-5-7-19-10-12;1-4-14-13(10-24)15-16(20-8-11(2)3)22-18(23-17(15)21-14)25-12-6-5-7-19-9-12;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;1-2-8-7(6-21)10-11(15)19-14(20-13(10)18-8)22-9-4-3-5-17-12(9)16;1-2-10-9(7-20)11-12(15)18-14(19-13(11)17-10)21-8-4-3-5-16-6-8/h5-7,12,14H,4,8-11,13H2,1-3H3,(H,24,25,26);4-8,10-11,13-14H,3,9,12H2,1-2H3,(H,25,26,27);3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26,27);5-7,12-14H,4,8-11H2,1-3H3,(H,23,24,25);6,9-10,12-14H,2-5,7-8,11H2,1H3,(H2,23,24,25,26);3-10,12-13H,2,11H2,1H3,(H2,23,24,25,26);4-8,10-11H,3,9H2,1-2H3,(H2,22,23,24,25);5-7,10-11H,3-4,8-9H2,1-2H3,(H2,20,21,22,23);5-7,9-11H,4,8H2,1-3H3,(H2,20,21,22,23);4-6,8-10,24H,3,7H2,1-2H3,(H2,19,20,21,22);3-6H,2H2,1H3,(H2,16,17)(H,18,19,20);3-7H,2H2,1H3,(H,17,18,19)/t;;;;;;;;;10-;;/m.........0../s1
InChIKeyBQRYKTWQLBIXMH-MKJQISCMSA-N
MW4617.61 g/mol
LogP44.17
Rot. Bonds82

About 2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (PubChem CID 157432483) has the molecular formula C230H243Cl2N63O17S12 and a molecular weight of 4617.61 g/mol. Its IUPAC name is 2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
PubChem CID157432483
Molecular FormulaC230H243Cl2N63O17S12
Molecular Weight4617.61 g/mol
Exact Mass4612.61
IUPAC Name2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESCCOCCNc1nc(Sc2cccnc2)nc2[nH]c(CC)c(C=O)c12.CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N(C)CCc3ccccn3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CCN(C(C)C)CC3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CCN(CC(=O)N(C)C)CC3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC(C)C)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC3CCCCC3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCCOc3ccccc3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC[C@H](C)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccc(C)o3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccccc3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3N)nc(Cl)c2c1C=O
InChIInChI=1S/C22H27N7O2S.C22H22N6OS.C22H21N5O2S.C21H26N6OS.C21H25N5OS.C21H19N5OS.C20H19N5O2S.C18H21N5O2S.C18H21N5OS.C17H19N5O2S.C14H12ClN5OS.C14H11ClN4OS/c1-4-17-16(14-30)19-20(24-17)25-22(32-15-6-5-7-23-12-15)26-21(19)29-10-8-28(9-11-29)13-18(31)27(2)3;1-3-18-17(14-29)19-20(25-18)26-22(30-16-8-6-10-23-13-16)27-21(19)28(2)12-9-15-7-4-5-11-24-15;1-2-18-17(14-28)19-20(24-11-12-29-15-7-4-3-5-8-15)26-22(27-21(19)25-18)30-16-9-6-10-23-13-16;1-4-17-16(13-28)18-19(23-17)24-21(29-15-6-5-7-22-12-15)25-20(18)27-10-8-26(9-11-27)14(2)3;2*1-2-17-16(13-27)18-19(23-11-14-7-4-3-5-8-14)25-21(26-20(18)24-17)28-15-9-6-10-22-12-15;1-3-16-15(11-26)17-18(22-9-13-7-6-12(2)27-13)24-20(25-19(17)23-16)28-14-5-4-8-21-10-14;1-3-14-13(11-24)15-16(20-8-9-25-4-2)22-18(23-17(15)21-14)26-12-6-5-7-19-10-12;1-4-14-13(10-24)15-16(20-8-11(2)3)22-18(23-17(15)21-14)25-12-6-5-7-19-9-12;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;1-2-8-7(6-21)10-11(15)19-14(20-13(10)18-8)22-9-4-3-5-17-12(9)16;1-2-10-9(7-20)11-12(15)18-14(19-13(11)17-10)21-8-4-3-5-16-6-8/h5-7,12,14H,4,8-11,13H2,1-3H3,(H,24,25,26);4-8,10-11,13-14H,3,9,12H2,1-2H3,(H,25,26,27);3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26,27);5-7,12-14H,4,8-11H2,1-3H3,(H,23,24,25);6,9-10,12-14H,2-5,7-8,11H2,1H3,(H2,23,24,25,26);3-10,12-13H,2,11H2,1H3,(H2,23,24,25,26);4-8,10-11H,3,9H2,1-2H3,(H2,22,23,24,25);5-7,10-11H,3-4,8-9H2,1-2H3,(H2,20,21,22,23);5-7,9-11H,4,8H2,1-3H3,(H2,20,21,22,23);4-6,8-10,24H,3,7H2,1-2H3,(H2,19,20,21,22);3-6H,2H2,1H3,(H2,16,17)(H,18,19,20);3-7H,2H2,1H3,(H,17,18,19)/t;;;;;;;;;10-;;/m.........0../s1
InChIKeyBQRYKTWQLBIXMH-MKJQISCMSA-N
XLogP44.17
TPSA1069.82 Ų
H-Bond Donors21
H-Bond Acceptors79
Rotatable Bonds82
Heavy Atoms324
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004617.61
LogP ≤ 544.17
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1079

Analyze 2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde with MolForge

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What is the IUPAC name of 2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (CID 157432483) is 2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde is CCOCCNc1nc(Sc2cccnc2)nc2[nH]c(CC)c(C=O)c12.CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N(C)CCc3ccccn3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CCN(C(C)C)CC3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CCN(CC(=O)N(C)C)CC3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC(C)C)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC3CCCCC3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCCOc3ccccc3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NC[C@H](C)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccc(C)o3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccccc3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3N)nc(Cl)c2c1C=O.
What is the InChIKey of 2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The InChIKey is BQRYKTWQLBIXMH-MKJQISCMSA-N. The full InChI is InChI=1S/C22H27N7O2S.C22H22N6OS.C22H21N5O2S.C21H26N6OS.C21H25N5OS.C21H19N5OS.C20H19N5O2S.C18H21N5O2S.C18H21N5OS.C17H19N5O2S.C14H12ClN5OS.C14H11ClN4OS/c1-4-17-16(14-30)19-20(24-17)25-22(32-15-6-5-7-23-12-15)26-21(19)29-10-8-28(9-11-29)13-18(31)27(2)3;1-3-18-17(14-29)19-20(25-18)26-22(30-16-8-6-10-23-13-16)27-21(19)28(2)12-9-15-7-4-5-11-24-15;1-2-18-17(14-28)19-20(24-11-12-29-15-7-4-3-5-8-15)26-22(27-21(19)25-18)30-16-9-6-10-23-13-16;1-4-17-16(13-28)18-19(23-17)24-21(29-15-6-5-7-22-12-15)25-20(18)27-10-8-26(9-11-27)14(2)3;2*1-2-17-16(13-27)18-19(23-11-14-7-4-3-5-8-14)25-21(26-20(18)24-17)28-15-9-6-10-22-12-15;1-3-16-15(11-26)17-18(22-9-13-7-6-12(2)27-13)24-20(25-19(17)23-16)28-14-5-4-8-21-10-14;1-3-14-13(11-24)15-16(20-8-9-25-4-2)22-18(23-17(15)21-14)26-12-6-5-7-19-10-12;1-4-14-13(10-24)15-16(20-8-11(2)3)22-18(23-17(15)21-14)25-12-6-5-7-19-9-12;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;1-2-8-7(6-21)10-11(15)19-14(20-13(10)18-8)22-9-4-3-5-17-12(9)16;1-2-10-9(7-20)11-12(15)18-14(19-13(11)17-10)21-8-4-3-5-16-6-8/h5-7,12,14H,4,8-11,13H2,1-3H3,(H,24,25,26);4-8,10-11,13-14H,3,9,12H2,1-2H3,(H,25,26,27);3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26,27);5-7,12-14H,4,8-11H2,1-3H3,(H,23,24,25);6,9-10,12-14H,2-5,7-8,11H2,1H3,(H2,23,24,25,26);3-10,12-13H,2,11H2,1H3,(H2,23,24,25,26);4-8,10-11H,3,9H2,1-2H3,(H2,22,23,24,25);5-7,10-11H,3-4,8-9H2,1-2H3,(H2,20,21,22,23);5-7,9-11H,4,8H2,1-3H3,(H2,20,21,22,23);4-6,8-10,24H,3,7H2,1-2H3,(H2,19,20,21,22);3-6H,2H2,1H3,(H2,16,17)(H,18,19,20);3-7H,2H2,1H3,(H,17,18,19)/t;;;;;;;;;10-;;/m.........0../s1.
What are the key properties of 2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde has a molecular weight of 4617.61 g/mol, XLogP of 44.17, 82 rotatable bonds, 21 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-pyridinyl)sulfanyl]-4-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(benzylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(cyclohexylmethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-(2-ethoxyethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;2-[4-(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-ethyl-4-[[(2S)-2-hydroxypropyl]amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[(5-methylfuran-2-yl)methylamino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-methylpropylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(2-phenoxyethylamino)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-4-(4-propan-2-ylpiperazin-1-yl)-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 157432483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).