1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone

C385H401FN80O15 — CID 158464535

IUPAC1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone
SMILESCCc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.CN1CCN(C(C)(C)c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(C2(c3cc(C(=O)Cc4cc5cc(-c6cnn(C)c6)ccc5cn4)ccn3)CC2)CC1.CN1CCN(Cc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(Cc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(CC(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2nccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)c2F)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCCC5)c4)cc3c2)cn1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(C(C)(C)C)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(C4(C)CC4)c3)cc2c1.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C(C)C)CC3)c2C)cc2cc(-c3cnn(C)c3)ccc12.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C)CC3)c2)cc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C28H30N6O.2C28H32N6O.3C26H28N6O.3C26H27N5O.C25H25FN6O.C25H26N6O.C25H25N5O.C24H22N4O.C24H24N4O.C22H20N4O/c1-32-9-11-34(12-10-32)28(6-7-28)27-15-21(5-8-29-27)26(35)16-25-14-23-13-20(3-4-22(23)17-30-25)24-18-31-33(2)19-24;1-28(2,34-11-9-32(3)10-12-34)27-15-21(7-8-29-27)26(35)16-25-14-23-13-20(5-6-22(23)17-30-25)24-18-31-33(4)19-24;1-19(2)33-9-11-34(12-10-33)28-20(3)26(7-8-29-28)27(35)15-25-14-23-13-21(5-6-22(23)16-30-25)24-17-31-32(4)18-24;1-30-7-9-32(10-8-30)26-12-19(5-6-27-26)11-25(33)15-24-14-22-13-20(3-4-21(22)16-28-24)23-17-29-31(2)18-23;2*1-30-7-9-32(10-8-30)18-25-12-20(5-6-27-25)26(33)14-24-13-22-11-19(3-4-21(22)15-28-24)23-16-29-31(2)17-23;3*1-30-17-23(16-29-30)19-5-6-21-15-28-24(13-22(21)11-19)14-26(32)20-7-8-27-25(12-20)18-31-9-3-2-4-10-31;1-30-7-9-32(10-8-30)25-24(26)22(5-6-27-25)23(33)13-21-12-19-11-17(3-4-18(19)14-28-21)20-15-29-31(2)16-20;1-29-7-9-31(10-8-29)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(3-4-20(21)15-27-23)22-16-28-30(2)17-22;1-29-16-22(15-28-29)18-4-5-20-14-27-23(12-21(20)10-18)13-25(31)19-6-7-26-24(11-19)17-30-8-2-3-9-30;1-24(6-7-24)23-11-17(5-8-26-23)22(29)12-20-10-19-9-16(3-4-18(19)13-27-20)21-14-25-15-28(21)2;1-24(2,3)23-11-17(7-8-26-23)22(29)12-20-10-19-9-16(5-6-18(19)13-27-20)21-14-25-15-28(21)4;1-3-19-9-16(6-7-24-19)22(27)11-20-10-18-8-15(4-5-17(18)12-25-20)21-13-23-14-26(21)2/h3-5,8,13-15,17-19H,6-7,9-12,16H2,1-2H3;5-8,13-15,17-19H,9-12,16H2,1-4H3;5-8,13-14,16-19H,9-12,15H2,1-4H3;3-6,12-14,16-18H,7-11,15H2,1-2H3;2*3-6,11-13,15-17H,7-10,14,18H2,1-2H3;3*5-8,11-13,15-17H,2-4,9-10,14,18H2,1H3;3-6,11-12,14-16H,7-10,13H2,1-2H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;4-7,10-12,14-16H,2-3,8-9,13,17H2,1H3;3-5,8-11,13-15H,6-7,12H2,1-2H3;5-11,13-15H,12H2,1-4H3;4-10,12-14H,3,11H2,1-2H3/i;;16D;;;;;;;;15D;;;;
InChIKeyHFOZDQJVTZZETM-LZYKBLTHSA-N
MW6410.00 g/mol
LogP58.68
Rot. Bonds84

About 1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone

1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone (PubChem CID 158464535) has the molecular formula C385H401FN80O15 and a molecular weight of 6410.00 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone
PubChem CID158464535
Molecular FormulaC385H401FN80O15
Molecular Weight6410.00 g/mol
Exact Mass6405.32
IUPAC Name1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone
SMILESCCc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.CN1CCN(C(C)(C)c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(C2(c3cc(C(=O)Cc4cc5cc(-c6cnn(C)c6)ccc5cn4)ccn3)CC2)CC1.CN1CCN(Cc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(Cc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(CC(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2nccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)c2F)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCCC5)c4)cc3c2)cn1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(C(C)(C)C)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(C4(C)CC4)c3)cc2c1.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C(C)C)CC3)c2C)cc2cc(-c3cnn(C)c3)ccc12.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C)CC3)c2)cc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C28H30N6O.2C28H32N6O.3C26H28N6O.3C26H27N5O.C25H25FN6O.C25H26N6O.C25H25N5O.C24H22N4O.C24H24N4O.C22H20N4O/c1-32-9-11-34(12-10-32)28(6-7-28)27-15-21(5-8-29-27)26(35)16-25-14-23-13-20(3-4-22(23)17-30-25)24-18-31-33(2)19-24;1-28(2,34-11-9-32(3)10-12-34)27-15-21(7-8-29-27)26(35)16-25-14-23-13-20(5-6-22(23)17-30-25)24-18-31-33(4)19-24;1-19(2)33-9-11-34(12-10-33)28-20(3)26(7-8-29-28)27(35)15-25-14-23-13-21(5-6-22(23)16-30-25)24-17-31-32(4)18-24;1-30-7-9-32(10-8-30)26-12-19(5-6-27-26)11-25(33)15-24-14-22-13-20(3-4-21(22)16-28-24)23-17-29-31(2)18-23;2*1-30-7-9-32(10-8-30)18-25-12-20(5-6-27-25)26(33)14-24-13-22-11-19(3-4-21(22)15-28-24)23-16-29-31(2)17-23;3*1-30-17-23(16-29-30)19-5-6-21-15-28-24(13-22(21)11-19)14-26(32)20-7-8-27-25(12-20)18-31-9-3-2-4-10-31;1-30-7-9-32(10-8-30)25-24(26)22(5-6-27-25)23(33)13-21-12-19-11-17(3-4-18(19)14-28-21)20-15-29-31(2)16-20;1-29-7-9-31(10-8-29)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(3-4-20(21)15-27-23)22-16-28-30(2)17-22;1-29-16-22(15-28-29)18-4-5-20-14-27-23(12-21(20)10-18)13-25(31)19-6-7-26-24(11-19)17-30-8-2-3-9-30;1-24(6-7-24)23-11-17(5-8-26-23)22(29)12-20-10-19-9-16(3-4-18(19)13-27-20)21-14-25-15-28(21)2;1-24(2,3)23-11-17(7-8-26-23)22(29)12-20-10-19-9-16(5-6-18(19)13-27-20)21-14-25-15-28(21)4;1-3-19-9-16(6-7-24-19)22(27)11-20-10-18-8-15(4-5-17(18)12-25-20)21-13-23-14-26(21)2/h3-5,8,13-15,17-19H,6-7,9-12,16H2,1-2H3;5-8,13-15,17-19H,9-12,16H2,1-4H3;5-8,13-14,16-19H,9-12,15H2,1-4H3;3-6,12-14,16-18H,7-11,15H2,1-2H3;2*3-6,11-13,15-17H,7-10,14,18H2,1-2H3;3*5-8,11-13,15-17H,2-4,9-10,14,18H2,1H3;3-6,11-12,14-16H,7-10,13H2,1-2H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;4-7,10-12,14-16H,2-3,8-9,13,17H2,1H3;3-5,8-11,13-15H,6-7,12H2,1-2H3;5-11,13-15H,12H2,1-4H3;4-10,12-14H,3,11H2,1-2H3/i;;16D;;;;;;;;15D;;;;
InChIKeyHFOZDQJVTZZETM-LZYKBLTHSA-N
XLogP58.68
TPSA974.85 Ų
H-Bond Donors
H-Bond Acceptors95
Rotatable Bonds84
Heavy Atoms481
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006410.00
LogP ≤ 558.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1095

Analyze 1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone?
The IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone (CID 158464535) is 1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone.
What is the SMILES notation for 1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone?
The canonical SMILES for 1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone is CCc1cc(C(=O)Cc2cc3cc(-c4cncn4C)ccc3cn2)ccn1.CN1CCN(C(C)(C)c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(C2(c3cc(C(=O)Cc4cc5cc(-c6cnn(C)c6)ccc5cn4)ccn3)CC2)CC1.CN1CCN(Cc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(Cc2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(CC(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2nccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)c2F)CC1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCCC5)c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)c4ccnc(CN5CCCCC5)c4)cc3c2)cn1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(C(C)(C)C)c3)cc2c1.Cn1cncc1-c1ccc2cnc(CC(=O)c3ccnc(C4(C)CC4)c3)cc2c1.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C(C)C)CC3)c2C)cc2cc(-c3cnn(C)c3)ccc12.[2H]c1nc(CC(=O)c2ccnc(N3CCN(C)CC3)c2)cc2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of 1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone?
The InChIKey is HFOZDQJVTZZETM-LZYKBLTHSA-N. The full InChI is InChI=1S/C28H30N6O.2C28H32N6O.3C26H28N6O.3C26H27N5O.C25H25FN6O.C25H26N6O.C25H25N5O.C24H22N4O.C24H24N4O.C22H20N4O/c1-32-9-11-34(12-10-32)28(6-7-28)27-15-21(5-8-29-27)26(35)16-25-14-23-13-20(3-4-22(23)17-30-25)24-18-31-33(2)19-24;1-28(2,34-11-9-32(3)10-12-34)27-15-21(7-8-29-27)26(35)16-25-14-23-13-20(5-6-22(23)17-30-25)24-18-31-33(4)19-24;1-19(2)33-9-11-34(12-10-33)28-20(3)26(7-8-29-28)27(35)15-25-14-23-13-21(5-6-22(23)16-30-25)24-17-31-32(4)18-24;1-30-7-9-32(10-8-30)26-12-19(5-6-27-26)11-25(33)15-24-14-22-13-20(3-4-21(22)16-28-24)23-17-29-31(2)18-23;2*1-30-7-9-32(10-8-30)18-25-12-20(5-6-27-25)26(33)14-24-13-22-11-19(3-4-21(22)15-28-24)23-16-29-31(2)17-23;3*1-30-17-23(16-29-30)19-5-6-21-15-28-24(13-22(21)11-19)14-26(32)20-7-8-27-25(12-20)18-31-9-3-2-4-10-31;1-30-7-9-32(10-8-30)25-24(26)22(5-6-27-25)23(33)13-21-12-19-11-17(3-4-18(19)14-28-21)20-15-29-31(2)16-20;1-29-7-9-31(10-8-29)25-13-19(5-6-26-25)24(32)14-23-12-21-11-18(3-4-20(21)15-27-23)22-16-28-30(2)17-22;1-29-16-22(15-28-29)18-4-5-20-14-27-23(12-21(20)10-18)13-25(31)19-6-7-26-24(11-19)17-30-8-2-3-9-30;1-24(6-7-24)23-11-17(5-8-26-23)22(29)12-20-10-19-9-16(3-4-18(19)13-27-20)21-14-25-15-28(21)2;1-24(2,3)23-11-17(7-8-26-23)22(29)12-20-10-19-9-16(5-6-18(19)13-27-20)21-14-25-15-28(21)4;1-3-19-9-16(6-7-24-19)22(27)11-20-10-18-8-15(4-5-17(18)12-25-20)21-13-23-14-26(21)2/h3-5,8,13-15,17-19H,6-7,9-12,16H2,1-2H3;5-8,13-15,17-19H,9-12,16H2,1-4H3;5-8,13-14,16-19H,9-12,15H2,1-4H3;3-6,12-14,16-18H,7-11,15H2,1-2H3;2*3-6,11-13,15-17H,7-10,14,18H2,1-2H3;3*5-8,11-13,15-17H,2-4,9-10,14,18H2,1H3;3-6,11-12,14-16H,7-10,13H2,1-2H3;3-6,11-13,15-17H,7-10,14H2,1-2H3;4-7,10-12,14-16H,2-3,8-9,13,17H2,1H3;3-5,8-11,13-15H,6-7,12H2,1-2H3;5-11,13-15H,12H2,1-4H3;4-10,12-14H,3,11H2,1-2H3/i;;16D;;;;;;;;15D;;;;.
What are the key properties of 1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone?
1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone has a molecular weight of 6410.00 g/mol, XLogP of 58.68, 84 rotatable bonds, 0 hydrogen bond donors, and 95 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[1-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[3-methyl-2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-ethyl-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylcyclopropyl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[1-(4-methylpiperazin-1-yl)cyclopropyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(4-methylpiperazin-1-yl)propan-2-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(piperidin-1-ylmethyl)-4-pyridinyl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]ethanone is sourced from PubChem (CID 158464535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).