8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one

C107H84ClN21O5S4 — CID 159419952

IUPAC8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
SMILESCOc1ncc(-c2cccc3cc([C@H](C)Nc4ccnc5scnc45)n(-c4ccccc4)c(=O)c23)cn1.C[C@H](Cc1nccc2scnc12)c1cc2cccc(-c3ccnnc3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnc2scnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cc1cccc(-n2c([C@H](C)Nc3ccnc4scnc34)cc3cccc(Cl)c3c2=O)c1
InChIInChI=1S/C28H22N6O2S.C28H21N5OS.C27H22N6OS.C24H19ClN4OS/c1-17(33-22-11-12-29-26-25(22)32-16-37-26)23-13-18-7-6-10-21(19-14-30-28(36-2)31-15-19)24(18)27(35)34(23)20-8-4-3-5-9-20;1-18(14-23-27-25(11-12-29-23)35-17-30-27)24-15-19-6-5-9-22(20-10-13-31-32-16-20)26(19)28(34)33(24)21-7-3-2-4-8-21;1-17(31-22-11-12-28-26-25(22)29-16-35-26)23-13-18-7-6-10-21(19-14-30-32(2)15-19)24(18)27(34)33(23)20-8-4-3-5-9-20;1-14-5-3-7-17(11-14)29-20(12-16-6-4-8-18(25)21(16)24(29)30)15(2)28-19-9-10-26-23-22(19)27-13-31-23/h3-17H,1-2H3,(H,29,33);2-13,15-18H,14H2,1H3;3-17H,1-2H3,(H,28,31);3-13,15H,1-2H3,(H,26,28)/t17-;18-;17-;15-/m0100/s1
InChIKeyLPQHJBRQMOWZBC-MRRWBSCVSA-N
MW1907.71 g/mol
LogP23.13
Rot. Bonds20

About 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one

8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one (PubChem CID 159419952) has the molecular formula C107H84ClN21O5S4 and a molecular weight of 1907.71 g/mol. Its IUPAC name is 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one.

Molecular Properties

Compound Name8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
PubChem CID159419952
Molecular FormulaC107H84ClN21O5S4
Molecular Weight1907.71 g/mol
Exact Mass1905.55
IUPAC Name8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
SMILESCOc1ncc(-c2cccc3cc([C@H](C)Nc4ccnc5scnc45)n(-c4ccccc4)c(=O)c23)cn1.C[C@H](Cc1nccc2scnc12)c1cc2cccc(-c3ccnnc3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnc2scnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cc1cccc(-n2c([C@H](C)Nc3ccnc4scnc34)cc3cccc(Cl)c3c2=O)c1
InChIInChI=1S/C28H22N6O2S.C28H21N5OS.C27H22N6OS.C24H19ClN4OS/c1-17(33-22-11-12-29-26-25(22)32-16-37-26)23-13-18-7-6-10-21(19-14-30-28(36-2)31-15-19)24(18)27(35)34(23)20-8-4-3-5-9-20;1-18(14-23-27-25(11-12-29-23)35-17-30-27)24-15-19-6-5-9-22(20-10-13-31-32-16-20)26(19)28(34)33(24)21-7-3-2-4-8-21;1-17(31-22-11-12-28-26-25(22)29-16-35-26)23-13-18-7-6-10-21(19-14-30-32(2)15-19)24(18)27(34)33(23)20-8-4-3-5-9-20;1-14-5-3-7-17(11-14)29-20(12-16-6-4-8-18(25)21(16)24(29)30)15(2)28-19-9-10-26-23-22(19)27-13-31-23/h3-17H,1-2H3,(H,29,33);2-13,15-18H,14H2,1H3;3-17H,1-2H3,(H,28,31);3-13,15H,1-2H3,(H,26,28)/t17-;18-;17-;15-/m0100/s1
InChIKeyLPQHJBRQMOWZBC-MRRWBSCVSA-N
XLogP23.13
TPSA305.82 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.71
LogP ≤ 523.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one with MolForge

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Related Compounds

3-[(1S)-1-[(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one;3-[(1S)-1-[(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one
CID 157098388
N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 157411317
8-chloro-2-cyclopropyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-methylphenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-8-[6-(trifluoromethyl)-3-pyridinyl]isoquinolin-1-one
CID 157557166
6-[2-Chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[3,5-dimethyl-1-(1,3-thiazol-5-yl)pyrazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;6-(5-methyl-2-thiophen-3-yl-1,3-thiazol-4-yl)-8-phenyl-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 158582146
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-(2,6-dichloro-4-pyridin-2-ylphenyl)-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(1-pyrazin-2-ylimidazol-2-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(2-pyrimidin-5-ylphenyl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(4-pyridazin-4-ylphenyl)-2-(4-pyrrolidin-3-ylanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 159894126
8-chloro-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-8-[6-(trifluoromethyl)-3-pyridinyl]isoquinolin-1-one;[6-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 160499894
8-chloro-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-8-[2-(trifluoromethyl)-4-pyridinyl]isoquinolin-1-one;[2-(trifluoromethyl)-4-pyridinyl]boronic acid
CID 162131880
8-butyl-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-methyl-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]isoquinolin-1-one;8-(2-methoxy-1,3-thiazol-5-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-phenyl-8-pyridin-2-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
CID 157080238
N-[6-[4-amino-1-[(8-chloro-2-cyclopropyl-1-oxoisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[4-amino-1-[(2-cyclopropyl-8-methyl-1-oxoisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[4-amino-1-[(2,8-dimethyl-1-oxoisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[4-amino-1-[(8-methyl-1-oxo-2-propan-2-ylisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide
CID 157111730
8-chloro-2-(3-fluorophenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 157115777
3-[(1S)-1-aminoethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-[(1S)-1-[(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 157242787
5-[1-(6-aminopurin-9-yl)ethyl]-6-phenylthieno[2,3-c]pyridin-7-one;5-chloro-4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrimidine-2,4-diamine;4-[8-[(4,4-dimethylpiperidin-1-yl)methyl]-9-ethyl-2-(1H-inden-4-yl)purin-6-yl]morpholine;methane;3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 157262352

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one?
The IUPAC name of 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one (CID 159419952) is 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one.
What is the SMILES notation for 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one?
The canonical SMILES for 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one is COc1ncc(-c2cccc3cc([C@H](C)Nc4ccnc5scnc45)n(-c4ccccc4)c(=O)c23)cn1.C[C@H](Cc1nccc2scnc12)c1cc2cccc(-c3ccnnc3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnc2scnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cc1cccc(-n2c([C@H](C)Nc3ccnc4scnc34)cc3cccc(Cl)c3c2=O)c1.
What is the InChIKey of 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one?
The InChIKey is LPQHJBRQMOWZBC-MRRWBSCVSA-N. The full InChI is InChI=1S/C28H22N6O2S.C28H21N5OS.C27H22N6OS.C24H19ClN4OS/c1-17(33-22-11-12-29-26-25(22)32-16-37-26)23-13-18-7-6-10-21(19-14-30-28(36-2)31-15-19)24(18)27(35)34(23)20-8-4-3-5-9-20;1-18(14-23-27-25(11-12-29-23)35-17-30-27)24-15-19-6-5-9-22(20-10-13-31-32-16-20)26(19)28(34)33(24)21-7-3-2-4-8-21;1-17(31-22-11-12-28-26-25(22)29-16-35-26)23-13-18-7-6-10-21(19-14-30-32(2)15-19)24(18)27(34)33(23)20-8-4-3-5-9-20;1-14-5-3-7-17(11-14)29-20(12-16-6-4-8-18(25)21(16)24(29)30)15(2)28-19-9-10-26-23-22(19)27-13-31-23/h3-17H,1-2H3,(H,29,33);2-13,15-18H,14H2,1H3;3-17H,1-2H3,(H,28,31);3-13,15H,1-2H3,(H,26,28)/t17-;18-;17-;15-/m0100/s1.
What are the key properties of 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one?
8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one has a molecular weight of 1907.71 g/mol, XLogP of 23.13, 20 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-b]pyridin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one is sourced from PubChem (CID 159419952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).