N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide

C371H386F3N87O26 — CID 160845625

IUPACN-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.CC(F)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.CC(Nc1cc2cc(-c3ccn(C)n3)ccc2cn1)c1ccnc(N2CCN(C)CC2)c1.CCn1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)cn1.CN(C)Cc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.CN1CCC(Oc2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C(F)F)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5N)ccc4cn3)ccn2)CC1.CN1CCN(c2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.Cc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.Cn1ncc(-c2ccc3cnc(NC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)c1CO.Cn1ncc(-c2ccc3cnc(NC(=O)c4cccc(CN5CCCC5)c4)cc3c2)c1CO.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C([2H])([2H])[2H])c5)ccc4cn3)ccn2)CC1.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.[2H]C([2H])([2H])n1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)cn1
InChIInChI=1S/C27H29N5O3.C27H28N4O3.C26H28N6O2.C26H27N5O2.3C25H27N7O.C25H29N7.C24H23F2N7O.C24H26N8O.C24H25N7O.C24H25N5O2.C24H24N4O3.C23H21FN4O3.C22H20N4O2/c1-31-10-8-22(9-11-31)35-23-5-3-4-19(13-23)27(34)30-26-14-21-12-18(6-7-20(21)15-28-26)24-16-29-32(2)25(24)17-33;1-31-25(17-32)24(16-29-31)19-7-8-20-15-28-26(14-21(20)13-19)30-27(33)18-9-11-23(12-10-18)34-22-5-3-2-4-6-22;1-30-8-10-32(11-9-30)22-5-3-4-19(13-22)26(34)29-25-14-21-12-18(6-7-20(21)15-27-25)23-16-28-31(2)24(23)17-33;1-30-24(17-32)23(15-28-30)19-7-8-21-14-27-25(13-22(21)12-19)29-26(33)20-6-4-5-18(11-20)16-31-9-2-3-10-31;2*1-3-31-8-10-32(11-9-31)24-14-19(6-7-26-24)25(33)29-23-13-21-12-18(4-5-20(21)15-27-23)22-16-28-30(2)17-22;1-3-32-17-22(16-28-32)18-4-5-20-15-27-23(13-21(20)12-18)29-25(33)19-6-7-26-24(14-19)31-10-8-30(2)9-11-31;1-18(19-6-8-26-25(16-19)32-12-10-30(2)11-13-32)28-24-15-22-14-20(4-5-21(22)17-27-24)23-7-9-31(3)29-23;1-31-6-8-32(9-7-31)22-12-17(4-5-27-22)23(34)30-21-11-19-10-16(2-3-18(19)13-28-21)20-14-29-33(15-20)24(25)26;1-30-7-9-32(10-8-30)22-13-17(5-6-26-22)24(33)29-21-12-19-11-16(3-4-18(19)14-27-21)20-15-28-31(2)23(20)25;1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21;1-28(2)14-16-4-6-17(7-5-16)24(31)27-23-11-20-10-18(8-9-19(20)12-25-23)21-13-26-29(3)22(21)15-30;1-15(2)31-20-8-6-16(7-9-20)24(30)27-23-11-19-10-17(4-5-18(19)12-25-23)21-13-26-28(3)22(21)14-29;1-14(24)31-19-7-5-15(6-8-19)23(30)27-22-10-18-9-16(3-4-17(18)11-25-22)20-12-26-28(2)21(20)13-29;1-14-3-5-15(6-4-14)22(28)25-21-10-18-9-16(7-8-17(18)11-23-21)19-12-24-26(2)20(19)13-27/h3-7,12-16,22,33H,8-11,17H2,1-2H3,(H,28,30,34);7-16,22,32H,2-6,17H2,1H3,(H,28,30,33);3-7,12-16,33H,8-11,17H2,1-2H3,(H,27,29,34);4-8,11-15,32H,2-3,9-10,16-17H2,1H3,(H,27,29,33);3*4-7,12-17H,3,8-11H2,1-2H3,(H,27,29,33);4-9,14-18H,10-13H2,1-3H3,(H,27,28);2-5,10-15,24H,6-9H2,1H3,(H,28,30,34);3-6,11-15H,7-10,25H2,1-2H3,(H,27,29,33);3-6,11-16H,7-10H2,1-2H3,(H,26,28,32);4-13,30H,14-15H2,1-3H3,(H,25,27,31);4-13,15,29H,14H2,1-3H3,(H,25,27,30);3-12,14,29H,13H2,1-2H3,(H,25,27,30);3-12,27H,13H2,1-2H3,(H,23,25,28)/i;;;;2D3,3D2;3D2;;;;;2D3;;;;
InChIKeySIPJUFXJKUKKSW-DRJXJVDSSA-N
MW6546.81 g/mol
LogP55.29
Rot. Bonds80

About N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide

N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide (PubChem CID 160845625) has the molecular formula C371H386F3N87O26 and a molecular weight of 6546.81 g/mol. Its IUPAC name is N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide
PubChem CID160845625
Molecular FormulaC371H386F3N87O26
Molecular Weight6546.81 g/mol
Exact Mass6542.21
IUPAC NameN-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.CC(F)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.CC(Nc1cc2cc(-c3ccn(C)n3)ccc2cn1)c1ccnc(N2CCN(C)CC2)c1.CCn1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)cn1.CN(C)Cc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.CN1CCC(Oc2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C(F)F)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5N)ccc4cn3)ccn2)CC1.CN1CCN(c2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.Cc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.Cn1ncc(-c2ccc3cnc(NC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)c1CO.Cn1ncc(-c2ccc3cnc(NC(=O)c4cccc(CN5CCCC5)c4)cc3c2)c1CO.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C([2H])([2H])[2H])c5)ccc4cn3)ccn2)CC1.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.[2H]C([2H])([2H])n1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)cn1
InChIInChI=1S/C27H29N5O3.C27H28N4O3.C26H28N6O2.C26H27N5O2.3C25H27N7O.C25H29N7.C24H23F2N7O.C24H26N8O.C24H25N7O.C24H25N5O2.C24H24N4O3.C23H21FN4O3.C22H20N4O2/c1-31-10-8-22(9-11-31)35-23-5-3-4-19(13-23)27(34)30-26-14-21-12-18(6-7-20(21)15-28-26)24-16-29-32(2)25(24)17-33;1-31-25(17-32)24(16-29-31)19-7-8-20-15-28-26(14-21(20)13-19)30-27(33)18-9-11-23(12-10-18)34-22-5-3-2-4-6-22;1-30-8-10-32(11-9-30)22-5-3-4-19(13-22)26(34)29-25-14-21-12-18(6-7-20(21)15-27-25)23-16-28-31(2)24(23)17-33;1-30-24(17-32)23(15-28-30)19-7-8-21-14-27-25(13-22(21)12-19)29-26(33)20-6-4-5-18(11-20)16-31-9-2-3-10-31;2*1-3-31-8-10-32(11-9-31)24-14-19(6-7-26-24)25(33)29-23-13-21-12-18(4-5-20(21)15-27-23)22-16-28-30(2)17-22;1-3-32-17-22(16-28-32)18-4-5-20-15-27-23(13-21(20)12-18)29-25(33)19-6-7-26-24(14-19)31-10-8-30(2)9-11-31;1-18(19-6-8-26-25(16-19)32-12-10-30(2)11-13-32)28-24-15-22-14-20(4-5-21(22)17-27-24)23-7-9-31(3)29-23;1-31-6-8-32(9-7-31)22-12-17(4-5-27-22)23(34)30-21-11-19-10-16(2-3-18(19)13-28-21)20-14-29-33(15-20)24(25)26;1-30-7-9-32(10-8-30)22-13-17(5-6-26-22)24(33)29-21-12-19-11-16(3-4-18(19)14-27-21)20-15-28-31(2)23(20)25;1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21;1-28(2)14-16-4-6-17(7-5-16)24(31)27-23-11-20-10-18(8-9-19(20)12-25-23)21-13-26-29(3)22(21)15-30;1-15(2)31-20-8-6-16(7-9-20)24(30)27-23-11-19-10-17(4-5-18(19)12-25-23)21-13-26-28(3)22(21)14-29;1-14(24)31-19-7-5-15(6-8-19)23(30)27-22-10-18-9-16(3-4-17(18)11-25-22)20-12-26-28(2)21(20)13-29;1-14-3-5-15(6-4-14)22(28)25-21-10-18-9-16(7-8-17(18)11-23-21)19-12-24-26(2)20(19)13-27/h3-7,12-16,22,33H,8-11,17H2,1-2H3,(H,28,30,34);7-16,22,32H,2-6,17H2,1H3,(H,28,30,33);3-7,12-16,33H,8-11,17H2,1-2H3,(H,27,29,34);4-8,11-15,32H,2-3,9-10,16-17H2,1H3,(H,27,29,33);3*4-7,12-17H,3,8-11H2,1-2H3,(H,27,29,33);4-9,14-18H,10-13H2,1-3H3,(H,27,28);2-5,10-15,24H,6-9H2,1H3,(H,28,30,34);3-6,11-15H,7-10,25H2,1-2H3,(H,27,29,33);3-6,11-16H,7-10H2,1-2H3,(H,26,28,32);4-13,30H,14-15H2,1-3H3,(H,25,27,31);4-13,15,29H,14H2,1-3H3,(H,25,27,30);3-12,14,29H,13H2,1-2H3,(H,25,27,30);3-12,27H,13H2,1-2H3,(H,23,25,28)/i;;;;2D3,3D2;3D2;;;;;2D3;;;;
InChIKeySIPJUFXJKUKKSW-DRJXJVDSSA-N
XLogP55.29
TPSA1256.65 Ų
H-Bond Donors24
H-Bond Acceptors99
Rotatable Bonds80
Heavy Atoms487
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006546.81
LogP ≤ 555.29
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1099

Analyze N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide (CID 160845625) is N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide is CC(C)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.CC(F)Oc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.CC(Nc1cc2cc(-c3ccn(C)n3)ccc2cn1)c1ccnc(N2CCN(C)CC2)c1.CCn1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)cn1.CN(C)Cc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.CN1CCC(Oc2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C(F)F)c5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5N)ccc4cn3)ccn2)CC1.CN1CCN(c2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5CO)ccc4cn3)c2)CC1.Cc1ccc(C(=O)Nc2cc3cc(-c4cnn(C)c4CO)ccc3cn2)cc1.Cn1ncc(-c2ccc3cnc(NC(=O)c4ccc(OC5CCCCC5)cc4)cc3c2)c1CO.Cn1ncc(-c2ccc3cnc(NC(=O)c4cccc(CN5CCCC5)c4)cc3c2)c1CO.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C([2H])([2H])[2H])c5)ccc4cn3)ccn2)CC1.[2H]C([2H])(C)N1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1.[2H]C([2H])([2H])n1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)cn1.
What is the InChIKey of N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide?
The InChIKey is SIPJUFXJKUKKSW-DRJXJVDSSA-N. The full InChI is InChI=1S/C27H29N5O3.C27H28N4O3.C26H28N6O2.C26H27N5O2.3C25H27N7O.C25H29N7.C24H23F2N7O.C24H26N8O.C24H25N7O.C24H25N5O2.C24H24N4O3.C23H21FN4O3.C22H20N4O2/c1-31-10-8-22(9-11-31)35-23-5-3-4-19(13-23)27(34)30-26-14-21-12-18(6-7-20(21)15-28-26)24-16-29-32(2)25(24)17-33;1-31-25(17-32)24(16-29-31)19-7-8-20-15-28-26(14-21(20)13-19)30-27(33)18-9-11-23(12-10-18)34-22-5-3-2-4-6-22;1-30-8-10-32(11-9-30)22-5-3-4-19(13-22)26(34)29-25-14-21-12-18(6-7-20(21)15-27-25)23-16-28-31(2)24(23)17-33;1-30-24(17-32)23(15-28-30)19-7-8-21-14-27-25(13-22(21)12-19)29-26(33)20-6-4-5-18(11-20)16-31-9-2-3-10-31;2*1-3-31-8-10-32(11-9-31)24-14-19(6-7-26-24)25(33)29-23-13-21-12-18(4-5-20(21)15-27-23)22-16-28-30(2)17-22;1-3-32-17-22(16-28-32)18-4-5-20-15-27-23(13-21(20)12-18)29-25(33)19-6-7-26-24(14-19)31-10-8-30(2)9-11-31;1-18(19-6-8-26-25(16-19)32-12-10-30(2)11-13-32)28-24-15-22-14-20(4-5-21(22)17-27-24)23-7-9-31(3)29-23;1-31-6-8-32(9-7-31)22-12-17(4-5-27-22)23(34)30-21-11-19-10-16(2-3-18(19)13-28-21)20-14-29-33(15-20)24(25)26;1-30-7-9-32(10-8-30)22-13-17(5-6-26-22)24(33)29-21-12-19-11-16(3-4-18(19)14-27-21)20-15-28-31(2)23(20)25;1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21;1-28(2)14-16-4-6-17(7-5-16)24(31)27-23-11-20-10-18(8-9-19(20)12-25-23)21-13-26-29(3)22(21)15-30;1-15(2)31-20-8-6-16(7-9-20)24(30)27-23-11-19-10-17(4-5-18(19)12-25-23)21-13-26-28(3)22(21)14-29;1-14(24)31-19-7-5-15(6-8-19)23(30)27-22-10-18-9-16(3-4-17(18)11-25-22)20-12-26-28(2)21(20)13-29;1-14-3-5-15(6-4-14)22(28)25-21-10-18-9-16(7-8-17(18)11-23-21)19-12-24-26(2)20(19)13-27/h3-7,12-16,22,33H,8-11,17H2,1-2H3,(H,28,30,34);7-16,22,32H,2-6,17H2,1H3,(H,28,30,33);3-7,12-16,33H,8-11,17H2,1-2H3,(H,27,29,34);4-8,11-15,32H,2-3,9-10,16-17H2,1H3,(H,27,29,33);3*4-7,12-17H,3,8-11H2,1-2H3,(H,27,29,33);4-9,14-18H,10-13H2,1-3H3,(H,27,28);2-5,10-15,24H,6-9H2,1H3,(H,28,30,34);3-6,11-15H,7-10,25H2,1-2H3,(H,27,29,33);3-6,11-16H,7-10H2,1-2H3,(H,26,28,32);4-13,30H,14-15H2,1-3H3,(H,25,27,31);4-13,15,29H,14H2,1-3H3,(H,25,27,30);3-12,14,29H,13H2,1-2H3,(H,25,27,30);3-12,27H,13H2,1-2H3,(H,23,25,28)/i;;;;2D3,3D2;3D2;;;;;2D3;;;;.
What are the key properties of N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide?
N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide has a molecular weight of 6546.81 g/mol, XLogP of 55.29, 80 rotatable bonds, 24 hydrogen bond donors, and 99 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-cyclohexyloxy-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(1,1-dideuterioethyl)piperazin-1-yl]-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-(difluoromethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-[(dimethylamino)methyl]-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;4-(1-fluoroethoxy)-N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-methylbenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-4-propan-2-yloxybenzamide;N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethyl]-6-(1-methylpyrazol-3-yl)isoquinolin-3-amine;2-(4-methylpiperazin-1-yl)-N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 160845625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).