2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone

C229H233N51O9S9 — CID 158641994

IUPAC2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone
SMILESCC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CCCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN1CCC2(CC1)CN(c1cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn1)C2.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.Nc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)s1.Nc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C6CC6)CC5)c4)cc3c2)s1
InChIInChI=1S/C27H28N6OS.C26H26N6OS.3C26H28N6OS.C25H25N5OS.C25H23N5OS.C24H24N6OS.C24H23N5OS/c1-32-8-5-27(6-9-32)16-33(17-27)25-12-18(4-7-29-25)23(34)13-22-11-21-10-19(2-3-20(21)14-30-22)24-15-31-26(28)35-24;27-26-30-16-24(34-26)18-1-2-19-15-29-21(12-20(19)11-18)14-23(33)17-5-6-28-25(13-17)32-9-7-31(8-10-32)22-3-4-22;1-31(2)22-6-9-32(10-7-22)25-13-17(5-8-28-25)23(33)14-21-12-20-11-18(3-4-19(20)15-29-21)24-16-30-26(27)34-24;1-17(2)31-7-9-32(10-8-31)25-13-18(5-6-28-25)23(33)14-22-12-21-11-19(3-4-20(21)15-29-22)24-16-30-26(27)34-24;1-2-7-31-8-10-32(11-9-31)25-14-18(5-6-28-25)23(33)15-22-13-21-12-19(3-4-20(21)16-29-22)24-17-30-26(27)34-24;2*1-30-8-5-16(6-9-30)22-12-17(4-7-27-22)23(31)13-21-11-20-10-18(2-3-19(20)14-28-21)24-15-29-25(26)32-24;1-29-6-8-30(9-7-29)23-12-16(4-5-26-23)21(31)13-20-11-19-10-17(2-3-18(19)14-27-20)22-15-28-24(25)32-22;25-24-28-15-22(31-24)17-4-5-18-14-27-20(11-19(18)10-17)13-21(30)16-6-7-26-23(12-16)29-8-2-1-3-9-29/h2-4,7,10-12,14-15H,5-6,8-9,13,16-17H2,1H3,(H2,28,31);1-2,5-6,11-13,15-16,22H,3-4,7-10,14H2,(H2,27,30);3-5,8,11-13,15-16,22H,6-7,9-10,14H2,1-2H3,(H2,27,30);3-6,11-13,15-17H,7-10,14H2,1-2H3,(H2,27,30);3-6,12-14,16-17H,2,7-11,15H2,1H3,(H2,27,30);2-4,7,10-12,14-16H,5-6,8-9,13H2,1H3,(H2,26,29);2-5,7,10-12,14-15H,6,8-9,13H2,1H3,(H2,26,29);2-5,10-12,14-15H,6-9,13H2,1H3,(H2,25,28);4-7,10-12,14-15H,1-3,8-9,13H2,(H2,25,28)
InChIKeyIAMQHEATVIFGQA-UHFFFAOYSA-N
MW4132.33 g/mol
LogP38.53
Rot. Bonds50

About 2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone

2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone (PubChem CID 158641994) has the molecular formula C229H233N51O9S9 and a molecular weight of 4132.33 g/mol. Its IUPAC name is 2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone
PubChem CID158641994
Molecular FormulaC229H233N51O9S9
Molecular Weight4132.33 g/mol
Exact Mass4128.68
IUPAC Name2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone
SMILESCC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CCCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN1CCC2(CC1)CN(c1cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn1)C2.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.Nc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)s1.Nc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C6CC6)CC5)c4)cc3c2)s1
InChIInChI=1S/C27H28N6OS.C26H26N6OS.3C26H28N6OS.C25H25N5OS.C25H23N5OS.C24H24N6OS.C24H23N5OS/c1-32-8-5-27(6-9-32)16-33(17-27)25-12-18(4-7-29-25)23(34)13-22-11-21-10-19(2-3-20(21)14-30-22)24-15-31-26(28)35-24;27-26-30-16-24(34-26)18-1-2-19-15-29-21(12-20(19)11-18)14-23(33)17-5-6-28-25(13-17)32-9-7-31(8-10-32)22-3-4-22;1-31(2)22-6-9-32(10-7-22)25-13-17(5-8-28-25)23(33)14-21-12-20-11-18(3-4-19(20)15-29-21)24-16-30-26(27)34-24;1-17(2)31-7-9-32(10-8-31)25-13-18(5-6-28-25)23(33)14-22-12-21-11-19(3-4-20(21)15-29-22)24-16-30-26(27)34-24;1-2-7-31-8-10-32(11-9-31)25-14-18(5-6-28-25)23(33)15-22-13-21-12-19(3-4-20(21)16-29-22)24-17-30-26(27)34-24;2*1-30-8-5-16(6-9-30)22-12-17(4-7-27-22)23(31)13-21-11-20-10-18(2-3-19(20)14-28-21)24-15-29-25(26)32-24;1-29-6-8-30(9-7-29)23-12-16(4-5-26-23)21(31)13-20-11-19-10-17(2-3-18(19)14-27-20)22-15-28-24(25)32-22;25-24-28-15-22(31-24)17-4-5-18-14-27-20(11-19(18)10-17)13-21(30)16-6-7-26-23(12-16)29-8-2-1-3-9-29/h2-4,7,10-12,14-15H,5-6,8-9,13,16-17H2,1H3,(H2,28,31);1-2,5-6,11-13,15-16,22H,3-4,7-10,14H2,(H2,27,30);3-5,8,11-13,15-16,22H,6-7,9-10,14H2,1-2H3,(H2,27,30);3-6,11-13,15-17H,7-10,14H2,1-2H3,(H2,27,30);3-6,12-14,16-17H,2,7-11,15H2,1H3,(H2,27,30);2-4,7,10-12,14-16H,5-6,8-9,13H2,1H3,(H2,26,29);2-5,7,10-12,14-15H,6,8-9,13H2,1H3,(H2,26,29);2-5,10-12,14-15H,6-9,13H2,1H3,(H2,25,28);4-7,10-12,14-15H,1-3,8-9,13H2,(H2,25,28)
InChIKeyIAMQHEATVIFGQA-UHFFFAOYSA-N
XLogP38.53
TPSA784.44 Ų
H-Bond Donors9
H-Bond Acceptors69
Rotatable Bonds50
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004132.33
LogP ≤ 538.53
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1069

Analyze 2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
The IUPAC name of 2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone (CID 158641994) is 2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
The canonical SMILES for 2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone is CC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CCCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN(C)C1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN1CC=C(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.CN1CCC2(CC1)CN(c1cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn1)C2.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)CC1.Nc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)s1.Nc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCN(C6CC6)CC5)c4)cc3c2)s1.
What is the InChIKey of 2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
The InChIKey is IAMQHEATVIFGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6OS.C26H26N6OS.3C26H28N6OS.C25H25N5OS.C25H23N5OS.C24H24N6OS.C24H23N5OS/c1-32-8-5-27(6-9-32)16-33(17-27)25-12-18(4-7-29-25)23(34)13-22-11-21-10-19(2-3-20(21)14-30-22)24-15-31-26(28)35-24;27-26-30-16-24(34-26)18-1-2-19-15-29-21(12-20(19)11-18)14-23(33)17-5-6-28-25(13-17)32-9-7-31(8-10-32)22-3-4-22;1-31(2)22-6-9-32(10-7-22)25-13-17(5-8-28-25)23(33)14-21-12-20-11-18(3-4-19(20)15-29-21)24-16-30-26(27)34-24;1-17(2)31-7-9-32(10-8-31)25-13-18(5-6-28-25)23(33)14-22-12-21-11-19(3-4-20(21)15-29-22)24-16-30-26(27)34-24;1-2-7-31-8-10-32(11-9-31)25-14-18(5-6-28-25)23(33)15-22-13-21-12-19(3-4-20(21)16-29-22)24-17-30-26(27)34-24;2*1-30-8-5-16(6-9-30)22-12-17(4-7-27-22)23(31)13-21-11-20-10-18(2-3-19(20)14-28-21)24-15-29-25(26)32-24;1-29-6-8-30(9-7-29)23-12-16(4-5-26-23)21(31)13-20-11-19-10-17(2-3-18(19)14-27-20)22-15-28-24(25)32-22;25-24-28-15-22(31-24)17-4-5-18-14-27-20(11-19(18)10-17)13-21(30)16-6-7-26-23(12-16)29-8-2-1-3-9-29/h2-4,7,10-12,14-15H,5-6,8-9,13,16-17H2,1H3,(H2,28,31);1-2,5-6,11-13,15-16,22H,3-4,7-10,14H2,(H2,27,30);3-5,8,11-13,15-16,22H,6-7,9-10,14H2,1-2H3,(H2,27,30);3-6,11-13,15-17H,7-10,14H2,1-2H3,(H2,27,30);3-6,12-14,16-17H,2,7-11,15H2,1H3,(H2,27,30);2-4,7,10-12,14-16H,5-6,8-9,13H2,1H3,(H2,26,29);2-5,7,10-12,14-15H,6,8-9,13H2,1H3,(H2,26,29);2-5,10-12,14-15H,6-9,13H2,1H3,(H2,25,28);4-7,10-12,14-15H,1-3,8-9,13H2,(H2,25,28).
What are the key properties of 2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone?
2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone has a molecular weight of 4132.33 g/mol, XLogP of 38.53, 50 rotatable bonds, 9 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone is sourced from PubChem (CID 158641994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).