3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one

C87H68ClN23O4S7 — CID 162207443

IUPAC3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESC[C@H](Nc1ncnc2scnc12)c1cc2scc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ncnc2scnc12)c1cc2scc(Cl)c2c(=O)n1-c1ccccc1.Cc1ccnc2cc(C(C)Nc3nccc4scnc34)n(-c3ccccc3)c(=O)c12.Cc1nsc2cc(C(C)Nc3ncnc4scnc34)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C24H19N7OS2.C23H19N5OS.C20H14ClN5OS2.C20H16N6OS2/c1-14(29-22-21-23(26-12-25-22)34-13-27-21)18-8-19-20(17(11-33-19)15-9-28-30(2)10-15)24(32)31(18)16-6-4-3-5-7-16;1-14-8-10-24-17-12-18(28(23(29)20(14)17)16-6-4-3-5-7-16)15(2)27-22-21-19(9-11-25-22)30-13-26-21;1-11(25-18-17-19(23-9-22-18)29-10-24-17)14-7-15-16(13(21)8-28-15)20(27)26(14)12-5-3-2-4-6-12;1-11(24-18-17-19(22-9-21-18)28-10-23-17)14-8-15-16(12(2)25-29-15)20(27)26(14)13-6-4-3-5-7-13/h3-14H,1-2H3,(H,25,26,29);3-13,15H,1-2H3,(H,25,27);2-11H,1H3,(H,22,23,25);3-11H,1-2H3,(H,21,22,24)/t14-;;11-;/m0.0./s1
InChIKeyZSJSSGBTASFHED-MNYVSLFBSA-N
MW1759.58 g/mol
LogP19.50
Rot. Bonds17

About 3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one

3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 162207443) has the molecular formula C87H68ClN23O4S7 and a molecular weight of 1759.58 g/mol. Its IUPAC name is 3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one
PubChem CID162207443
Molecular FormulaC87H68ClN23O4S7
Molecular Weight1759.58 g/mol
Exact Mass1757.36
IUPAC Name3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESC[C@H](Nc1ncnc2scnc12)c1cc2scc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ncnc2scnc12)c1cc2scc(Cl)c2c(=O)n1-c1ccccc1.Cc1ccnc2cc(C(C)Nc3nccc4scnc34)n(-c3ccccc3)c(=O)c12.Cc1nsc2cc(C(C)Nc3ncnc4scnc34)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C24H19N7OS2.C23H19N5OS.C20H14ClN5OS2.C20H16N6OS2/c1-14(29-22-21-23(26-12-25-22)34-13-27-21)18-8-19-20(17(11-33-19)15-9-28-30(2)10-15)24(32)31(18)16-6-4-3-5-7-16;1-14-8-10-24-17-12-18(28(23(29)20(14)17)16-6-4-3-5-7-16)15(2)27-22-21-19(9-11-25-22)30-13-26-21;1-11(25-18-17-19(23-9-22-18)29-10-24-17)14-7-15-16(13(21)8-28-15)20(27)26(14)12-5-3-2-4-6-12;1-11(24-18-17-19(22-9-21-18)28-10-23-17)14-8-15-16(12(2)25-29-15)20(27)26(14)13-6-4-3-5-7-13/h3-14H,1-2H3,(H,25,26,29);3-13,15H,1-2H3,(H,25,27);2-11H,1H3,(H,22,23,25);3-11H,1-2H3,(H,21,22,24)/t14-;;11-;/m0.0./s1
InChIKeyZSJSSGBTASFHED-MNYVSLFBSA-N
XLogP19.50
TPSA321.51 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001759.58
LogP ≤ 519.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze 3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-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
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
CID 158566393
CID 158566393
4-chloro-N-(4-chlorophenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(6-methyl-2-pyridinyl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;3,4-dichloro-N-(4-methylphenyl)-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 158946081
4-chloro-N-(4-chlorophenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methylphenyl)-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 159170144
N-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide;N-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)benzamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-3-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidine-5-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1,2-thiazole-3-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide;N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidine-2-carboxamide
CID 161163173
tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 157064055
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
8-amino-N-butyl-N-methyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-2-(5-methylthiophen-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 157097527
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 3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one (CID 162207443) is 3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one is C[C@H](Nc1ncnc2scnc12)c1cc2scc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ncnc2scnc12)c1cc2scc(Cl)c2c(=O)n1-c1ccccc1.Cc1ccnc2cc(C(C)Nc3nccc4scnc34)n(-c3ccccc3)c(=O)c12.Cc1nsc2cc(C(C)Nc3ncnc4scnc34)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is ZSJSSGBTASFHED-MNYVSLFBSA-N. The full InChI is InChI=1S/C24H19N7OS2.C23H19N5OS.C20H14ClN5OS2.C20H16N6OS2/c1-14(29-22-21-23(26-12-25-22)34-13-27-21)18-8-19-20(17(11-33-19)15-9-28-30(2)10-15)24(32)31(18)16-6-4-3-5-7-16;1-14-8-10-24-17-12-18(28(23(29)20(14)17)16-6-4-3-5-7-16)15(2)27-22-21-19(9-11-25-22)30-13-26-21;1-11(25-18-17-19(23-9-22-18)29-10-24-17)14-7-15-16(13(21)8-28-15)20(27)26(14)12-5-3-2-4-6-12;1-11(24-18-17-19(22-9-21-18)28-10-23-17)14-8-15-16(12(2)25-29-15)20(27)26(14)13-6-4-3-5-7-13/h3-14H,1-2H3,(H,25,26,29);3-13,15H,1-2H3,(H,25,27);2-11H,1H3,(H,22,23,25);3-11H,1-2H3,(H,21,22,24)/t14-;;11-;/m0.0./s1.
What are the key properties of 3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one?
3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 1759.58 g/mol, XLogP of 19.50, 17 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one;4-methyl-6-phenyl-7-[1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-1,6-naphthyridin-5-one;3-methyl-5-phenyl-6-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-[1,2]thiazolo[4,5-c]pyridin-4-one;3-(1-methylpyrazol-4-yl)-5-phenyl-6-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 162207443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).