5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone

C138H131N33O7S6 — CID 159074171

IUPAC5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
SMILESCC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)C1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)C1.CN(C)CCNc1cc(C(=O)Cc2cc3cc(-c4cnc(N)s4)ccc3cn2)ccn1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)cn2)CC1.CNC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnc(N)s4)ccc3cn2)cn1.Nc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)s1
InChIInChI=1S/2C24H24N6OS.C23H24N6OS.2C23H21N5OS.C21H17N5O2S/c1-29(2)20-13-30(14-20)23-9-15(5-6-26-23)21(31)10-19-8-18-7-16(3-4-17(18)11-27-19)22-12-28-24(25)32-22;1-29-6-8-30(9-7-29)23-5-4-18(14-27-23)21(31)12-20-11-19-10-16(2-3-17(19)13-26-20)22-15-28-24(25)32-22;1-29(2)8-7-26-22-11-15(5-6-25-22)20(30)12-19-10-18-9-16(3-4-17(18)13-27-19)21-14-28-23(24)31-21;1-14-12-28(13-14)22-8-15(4-5-25-22)20(29)9-19-7-18-6-16(2-3-17(18)10-26-19)21-11-27-23(24)30-21;24-23-27-14-21(30-23)16-3-4-17-13-26-19(10-18(17)9-16)12-20(29)15-5-6-25-22(11-15)28-7-1-2-8-28;1-23-20(28)17-5-4-14(10-25-17)18(27)8-16-7-15-6-12(2-3-13(15)9-24-16)19-11-26-21(22)29-19/h3-9,11-12,20H,10,13-14H2,1-2H3,(H2,25,28);2-5,10-11,13-15H,6-9,12H2,1H3,(H2,25,28);3-6,9-11,13-14H,7-8,12H2,1-2H3,(H2,24,28)(H,25,26);2-8,10-11,14H,9,12-13H2,1H3,(H2,24,27);3-6,9-11,13-14H,1-2,7-8,12H2,(H2,24,27);2-7,9-11H,8H2,1H3,(H2,22,26)(H,23,28)
InChIKeyKAARVMXKBBZQMK-UHFFFAOYSA-N
MW2556.19 g/mol
LogP22.46
Rot. Bonds34

About 5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone

5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone (PubChem CID 159074171) has the molecular formula C138H131N33O7S6 and a molecular weight of 2556.19 g/mol. Its IUPAC name is 5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
PubChem CID159074171
Molecular FormulaC138H131N33O7S6
Molecular Weight2556.19 g/mol
Exact Mass2553.92
IUPAC Name5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
SMILESCC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)C1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)C1.CN(C)CCNc1cc(C(=O)Cc2cc3cc(-c4cnc(N)s4)ccc3cn2)ccn1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)cn2)CC1.CNC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnc(N)s4)ccc3cn2)cn1.Nc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)s1
InChIInChI=1S/2C24H24N6OS.C23H24N6OS.2C23H21N5OS.C21H17N5O2S/c1-29(2)20-13-30(14-20)23-9-15(5-6-26-23)21(31)10-19-8-18-7-16(3-4-17(18)11-27-19)22-12-28-24(25)32-22;1-29-6-8-30(9-7-29)23-5-4-18(14-27-23)21(31)12-20-11-19-10-16(2-3-17(19)13-26-20)22-15-28-24(25)32-22;1-29(2)8-7-26-22-11-15(5-6-25-22)20(30)12-19-10-18-9-16(3-4-17(18)13-27-19)21-14-28-23(24)31-21;1-14-12-28(13-14)22-8-15(4-5-25-22)20(29)9-19-7-18-6-16(2-3-17(18)10-26-19)21-11-27-23(24)30-21;24-23-27-14-21(30-23)16-3-4-17-13-26-19(10-18(17)9-16)12-20(29)15-5-6-25-22(11-15)28-7-1-2-8-28;1-23-20(28)17-5-4-14(10-25-17)18(27)8-16-7-15-6-12(2-3-13(15)9-24-16)19-11-26-21(22)29-19/h3-9,11-12,20H,10,13-14H2,1-2H3,(H2,25,28);2-5,10-11,13-15H,6-9,12H2,1H3,(H2,25,28);3-6,9-11,13-14H,7-8,12H2,1-2H3,(H2,24,28)(H,25,26);2-8,10-11,14H,9,12-13H2,1H3,(H2,24,27);3-6,9-11,13-14H,1-2,7-8,12H2,(H2,24,27);2-7,9-11H,8H2,1H3,(H2,22,26)(H,23,28)
InChIKeyKAARVMXKBBZQMK-UHFFFAOYSA-N
XLogP22.46
TPSA554.37 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds34
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002556.19
LogP ≤ 522.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Analyze 5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 157413466
4-[(3S)-3-[5-[2-(3-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methylpyrimidin-2-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 158447000
2-(2-Amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 157156488
1-(1-adamantyl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;1-cyclobutyl-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;1-(1-methylcyclopropyl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;1-(3-methylphenyl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-phenylethanone
CID 157374952
1-(1-Adamantyl)-2-[1-[2-methyl-5-(1-pyridin-3-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;1-cyclobutyl-2-[1-[2-methyl-5-(1-pyridin-3-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;1-(1-methylcyclopropyl)-2-[1-[2-methyl-5-(1-pyridin-3-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;1-(3-methylphenyl)-2-[1-[2-methyl-5-(1-pyridin-3-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;2-[1-[2-methyl-5-(1-pyridin-3-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-phenylethanone
CID 157374955
1-[13-(6-amino-3-pyridinyl)-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl]-2-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-1-(13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone;bis(2-(2,6-difluorophenyl)-1-(13-pyridin-3-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone);2,6-difluoro-N-(12-pyridin-3-yl-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl)benzamide;trihydrochloride
CID 157592000
2-(2-Amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[7-(4-methylpiperazin-1-yl)isoquinolin-3-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 157719925
4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-4-(4-propan-2-yl-2-pyridinyl)-3H-indol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)-3H-indol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-(4-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;2-(4-propan-2-yl-2-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-propan-2-ylpyrrolo[3,2-c]pyridine
CID 157738929
bis(1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone);1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone;N-methyl-5-[2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide
CID 157758944
1-[2-(7-Azaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-propylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158133419
1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
CID 158150694
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-[3-(dimethylamino)azetidin-1-yl]pyridine-4-carboxamide;N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide;N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carboxamide;N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-(3-methylazetidin-1-yl)pyridine-4-carboxamide;N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-4-carboxamide;N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)pyridine-4-carboxamide;N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide;N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 158242382

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The IUPAC name of 5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone (CID 159074171) is 5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone.
What is the SMILES notation for 5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The canonical SMILES for 5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone is CC1CN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)C1.CN(C)C1CN(c2cc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)ccn2)C1.CN(C)CCNc1cc(C(=O)Cc2cc3cc(-c4cnc(N)s4)ccc3cn2)ccn1.CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnc(N)s5)ccc4cn3)cn2)CC1.CNC(=O)c1ccc(C(=O)Cc2cc3cc(-c4cnc(N)s4)ccc3cn2)cn1.Nc1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCC5)c4)cc3c2)s1.
What is the InChIKey of 5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
The InChIKey is KAARVMXKBBZQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H24N6OS.C23H24N6OS.2C23H21N5OS.C21H17N5O2S/c1-29(2)20-13-30(14-20)23-9-15(5-6-26-23)21(31)10-19-8-18-7-16(3-4-17(18)11-27-19)22-12-28-24(25)32-22;1-29-6-8-30(9-7-29)23-5-4-18(14-27-23)21(31)12-20-11-19-10-16(2-3-17(19)13-26-20)22-15-28-24(25)32-22;1-29(2)8-7-26-22-11-15(5-6-25-22)20(30)12-19-10-18-9-16(3-4-17(18)13-27-19)21-14-28-23(24)31-21;1-14-12-28(13-14)22-8-15(4-5-25-22)20(29)9-19-7-18-6-16(2-3-17(18)10-26-19)21-11-27-23(24)30-21;24-23-27-14-21(30-23)16-3-4-17-13-26-19(10-18(17)9-16)12-20(29)15-5-6-25-22(11-15)28-7-1-2-8-28;1-23-20(28)17-5-4-14(10-25-17)18(27)8-16-7-15-6-12(2-3-13(15)9-24-16)19-11-26-21(22)29-19/h3-9,11-12,20H,10,13-14H2,1-2H3,(H2,25,28);2-5,10-11,13-15H,6-9,12H2,1H3,(H2,25,28);3-6,9-11,13-14H,7-8,12H2,1-2H3,(H2,24,28)(H,25,26);2-8,10-11,14H,9,12-13H2,1H3,(H2,24,27);3-6,9-11,13-14H,1-2,7-8,12H2,(H2,24,27);2-7,9-11H,8H2,1H3,(H2,22,26)(H,23,28).
What are the key properties of 5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone?
5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone has a molecular weight of 2556.19 g/mol, XLogP of 22.46, 34 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]acetyl]-N-methylpyridine-2-carboxamide;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone is sourced from PubChem (CID 159074171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).