2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C237H226N56O11S11 — CID 158910028

IUPAC2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN(C)C1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)C1.CN1CC=C(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN1CCC(Sc2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5ncc(C(N)=O)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)cn2)CC1.Cc1cnc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)s1.Cc1csc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)n1.O=C(Nc1cc2cc(-c3cncs3)ccc2cn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H26N6OS.C24H23N7O2S.2C24H24N6OS.C24H23N5OS2.C24H21N5OS.3C23H22N6OS.C23H19N3OS/c1-30(2)21-6-9-31(10-7-21)24-13-18(5-8-27-24)25(32)29-23-12-20-11-17(22-15-26-16-33-22)3-4-19(20)14-28-23;1-30-6-8-31(9-7-30)21-12-15(4-5-26-21)23(33)29-20-11-18-10-16(2-3-17(18)13-27-20)24-28-14-19(34-24)22(25)32;1-16-15-32-24(27-16)18-3-4-19-14-26-21(12-20(19)11-18)28-23(31)17-5-6-25-22(13-17)30-9-7-29(2)8-10-30;1-16-14-27-24(32-16)18-3-4-19-15-26-21(12-20(19)11-18)28-23(31)17-5-6-25-22(13-17)30-9-7-29(2)8-10-30;1-29-8-5-20(6-9-29)32-23-12-17(4-7-26-23)24(30)28-22-11-19-10-16(21-14-25-15-31-21)2-3-18(19)13-27-22;1-29-8-5-16(6-9-29)21-11-18(4-7-26-21)24(30)28-23-12-20-10-17(22-14-25-15-31-22)2-3-19(20)13-27-23;1-28(2)19-12-29(13-19)22-9-16(5-6-25-22)23(30)27-21-8-18-7-15(20-11-24-14-31-20)3-4-17(18)10-26-21;1-28-6-8-29(9-7-28)22-12-17(4-5-25-22)23(30)27-21-11-19-10-16(20-14-24-15-31-20)2-3-18(19)13-26-21;1-28-6-8-29(9-7-28)22-5-4-18(13-26-22)23(30)27-21-11-19-10-16(20-14-24-15-31-20)2-3-17(19)12-25-21;27-23(18-7-5-15-3-1-2-4-16(15)9-18)26-22-11-20-10-17(21-13-24-14-28-21)6-8-19(20)12-25-22/h3-5,8,11-16,21H,6-7,9-10H2,1-2H3,(H,28,29,32);2-5,10-14H,6-9H2,1H3,(H2,25,32)(H,27,29,33);2*3-6,11-15H,7-10H2,1-2H3,(H,26,28,31);2-4,7,10-15,20H,5-6,8-9H2,1H3,(H,27,28,30);2-5,7,10-15H,6,8-9H2,1H3,(H,27,28,30);3-11,14,19H,12-13H2,1-2H3,(H,26,27,30);2-5,10-15H,6-9H2,1H3,(H,26,27,30);2-5,10-15H,6-9H2,1H3,(H,25,27,30);5-14H,1-4H2,(H,25,26,27)
InChIKeyJGNKQMFDKIEINH-UHFFFAOYSA-N
MW4387.53 g/mol
LogP42.20
Rot. Bonds43

About 2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 158910028) has the molecular formula C237H226N56O11S11 and a molecular weight of 4387.53 g/mol. Its IUPAC name is 2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID158910028
Molecular FormulaC237H226N56O11S11
Molecular Weight4387.53 g/mol
Exact Mass4383.58
IUPAC Name2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN(C)C1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)C1.CN1CC=C(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN1CCC(Sc2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5ncc(C(N)=O)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)cn2)CC1.Cc1cnc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)s1.Cc1csc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)n1.O=C(Nc1cc2cc(-c3cncs3)ccc2cn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H26N6OS.C24H23N7O2S.2C24H24N6OS.C24H23N5OS2.C24H21N5OS.3C23H22N6OS.C23H19N3OS/c1-30(2)21-6-9-31(10-7-21)24-13-18(5-8-27-24)25(32)29-23-12-20-11-17(22-15-26-16-33-22)3-4-19(20)14-28-23;1-30-6-8-31(9-7-30)21-12-15(4-5-26-21)23(33)29-20-11-18-10-16(2-3-17(18)13-27-20)24-28-14-19(34-24)22(25)32;1-16-15-32-24(27-16)18-3-4-19-14-26-21(12-20(19)11-18)28-23(31)17-5-6-25-22(13-17)30-9-7-29(2)8-10-30;1-16-14-27-24(32-16)18-3-4-19-15-26-21(12-20(19)11-18)28-23(31)17-5-6-25-22(13-17)30-9-7-29(2)8-10-30;1-29-8-5-20(6-9-29)32-23-12-17(4-7-26-23)24(30)28-22-11-19-10-16(21-14-25-15-31-21)2-3-18(19)13-27-22;1-29-8-5-16(6-9-29)21-11-18(4-7-26-21)24(30)28-23-12-20-10-17(22-14-25-15-31-22)2-3-19(20)13-27-23;1-28(2)19-12-29(13-19)22-9-16(5-6-25-22)23(30)27-21-8-18-7-15(20-11-24-14-31-20)3-4-17(18)10-26-21;1-28-6-8-29(9-7-28)22-12-17(4-5-25-22)23(30)27-21-11-19-10-16(20-14-24-15-31-20)2-3-18(19)13-26-21;1-28-6-8-29(9-7-28)22-5-4-18(13-26-22)23(30)27-21-11-19-10-16(20-14-24-15-31-20)2-3-17(19)12-25-21;27-23(18-7-5-15-3-1-2-4-16(15)9-18)26-22-11-20-10-17(21-13-24-14-28-21)6-8-19(20)12-25-22/h3-5,8,11-16,21H,6-7,9-10H2,1-2H3,(H,28,29,32);2-5,10-14H,6-9H2,1H3,(H2,25,32)(H,27,29,33);2*3-6,11-15H,7-10H2,1-2H3,(H,26,28,31);2-4,7,10-15,20H,5-6,8-9H2,1H3,(H,27,28,30);2-5,7,10-15H,6,8-9H2,1H3,(H,27,28,30);3-11,14,19H,12-13H2,1-2H3,(H,26,27,30);2-5,10-15H,6-9H2,1H3,(H,26,27,30);2-5,10-15H,6-9H2,1H3,(H,25,27,30);5-14H,1-4H2,(H,25,26,27)
InChIKeyJGNKQMFDKIEINH-UHFFFAOYSA-N
XLogP42.20
TPSA759.74 Ų
H-Bond Donors11
H-Bond Acceptors67
Rotatable Bonds43
Heavy Atoms315
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004387.53
LogP ≤ 542.20
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1067

Analyze 2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 158910028) is 2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CN(C)C1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN(C)C1CN(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)C1.CN1CC=C(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN1CCC(Sc2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5ncc(C(N)=O)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2ccc(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)cn2)CC1.Cc1cnc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)s1.Cc1csc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)n1.O=C(Nc1cc2cc(-c3cncs3)ccc2cn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is JGNKQMFDKIEINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6OS.C24H23N7O2S.2C24H24N6OS.C24H23N5OS2.C24H21N5OS.3C23H22N6OS.C23H19N3OS/c1-30(2)21-6-9-31(10-7-21)24-13-18(5-8-27-24)25(32)29-23-12-20-11-17(22-15-26-16-33-22)3-4-19(20)14-28-23;1-30-6-8-31(9-7-30)21-12-15(4-5-26-21)23(33)29-20-11-18-10-16(2-3-17(18)13-27-20)24-28-14-19(34-24)22(25)32;1-16-15-32-24(27-16)18-3-4-19-14-26-21(12-20(19)11-18)28-23(31)17-5-6-25-22(13-17)30-9-7-29(2)8-10-30;1-16-14-27-24(32-16)18-3-4-19-15-26-21(12-20(19)11-18)28-23(31)17-5-6-25-22(13-17)30-9-7-29(2)8-10-30;1-29-8-5-20(6-9-29)32-23-12-17(4-7-26-23)24(30)28-22-11-19-10-16(21-14-25-15-31-21)2-3-18(19)13-27-22;1-29-8-5-16(6-9-29)21-11-18(4-7-26-21)24(30)28-23-12-20-10-17(22-14-25-15-31-22)2-3-19(20)13-27-23;1-28(2)19-12-29(13-19)22-9-16(5-6-25-22)23(30)27-21-8-18-7-15(20-11-24-14-31-20)3-4-17(18)10-26-21;1-28-6-8-29(9-7-28)22-12-17(4-5-25-22)23(30)27-21-11-19-10-16(20-14-24-15-31-20)2-3-18(19)13-26-21;1-28-6-8-29(9-7-28)22-5-4-18(13-26-22)23(30)27-21-11-19-10-16(20-14-24-15-31-20)2-3-17(19)12-25-21;27-23(18-7-5-15-3-1-2-4-16(15)9-18)26-22-11-20-10-17(21-13-24-14-28-21)6-8-19(20)12-25-22/h3-5,8,11-16,21H,6-7,9-10H2,1-2H3,(H,28,29,32);2-5,10-14H,6-9H2,1H3,(H2,25,32)(H,27,29,33);2*3-6,11-15H,7-10H2,1-2H3,(H,26,28,31);2-4,7,10-15,20H,5-6,8-9H2,1H3,(H,27,28,30);2-5,7,10-15H,6,8-9H2,1H3,(H,27,28,30);3-11,14,19H,12-13H2,1-2H3,(H,26,27,30);2-5,10-15H,6-9H2,1H3,(H,26,27,30);2-5,10-15H,6-9H2,1H3,(H,25,27,30);5-14H,1-4H2,(H,25,26,27).
What are the key properties of 2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 4387.53 g/mol, XLogP of 42.20, 43 rotatable bonds, 11 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[4-(dimethylamino)piperidin-1-yl]-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]pyridine-4-carboxamide;2-[3-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)sulfanyl-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 158910028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).