2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one

C111H93FN22O6S4 — CID 157329320

IUPAC2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
SMILESCOc1ncc(-c2cccc3cc([C@H](C)Cc4nccc5scnc45)n(C4CC4)c(=O)c23)cn1.COc1ncc(-c2cccc3cc([C@H](C)Nc4ncnc5scnc45)n(-c4cccc(F)c4)c(=O)c23)cn1.C[C@H](Nc1nccc2scnc12)c1cc2cccc(-c3cnc4c(c3)CCCC4)c2c(=O)n1-c1ccccc1.Cc1ncc(-c2cccc3cc([C@H](C)Cc4nccc5scnc45)n(C4CC4)c(=O)c23)cn1
InChIInChI=1S/C32H27N5OS.C27H20FN7O2S.C26H23N5O2S.C26H23N5OS/c1-20(36-31-30-28(14-15-33-31)39-19-35-30)27-17-22-9-7-12-25(23-16-21-8-5-6-13-26(21)34-18-23)29(22)32(38)37(27)24-10-3-2-4-11-24;1-15(34-24-23-25(32-13-31-24)38-14-33-23)21-9-16-5-3-8-20(17-11-29-27(37-2)30-12-17)22(16)26(36)35(21)19-7-4-6-18(28)10-19;1-15(10-20-24-22(8-9-27-20)34-14-30-24)21-11-16-4-3-5-19(17-12-28-26(33-2)29-13-17)23(16)25(32)31(21)18-6-7-18;1-15(10-21-25-23(8-9-27-21)33-14-30-25)22-11-17-4-3-5-20(18-12-28-16(2)29-13-18)24(17)26(32)31(22)19-6-7-19/h2-4,7,9-12,14-20H,5-6,8,13H2,1H3,(H,33,36);3-15H,1-2H3,(H,31,32,34);3-5,8-9,11-15,18H,6-7,10H2,1-2H3;3-5,8-9,11-15,19H,6-7,10H2,1-2H3/t20-;3*15-/m0011/s1
InChIKeyBFCIJBHHRMPVJK-QXSPDZDESA-N
MW1978.38 g/mol
LogP22.88
Rot. Bonds22

About 2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one

2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one (PubChem CID 157329320) has the molecular formula C111H93FN22O6S4 and a molecular weight of 1978.38 g/mol. Its IUPAC name is 2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one.

Molecular Properties

Compound Name2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
PubChem CID157329320
Molecular FormulaC111H93FN22O6S4
Molecular Weight1978.38 g/mol
Exact Mass1976.65
IUPAC Name2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
SMILESCOc1ncc(-c2cccc3cc([C@H](C)Cc4nccc5scnc45)n(C4CC4)c(=O)c23)cn1.COc1ncc(-c2cccc3cc([C@H](C)Nc4ncnc5scnc45)n(-c4cccc(F)c4)c(=O)c23)cn1.C[C@H](Nc1nccc2scnc12)c1cc2cccc(-c3cnc4c(c3)CCCC4)c2c(=O)n1-c1ccccc1.Cc1ncc(-c2cccc3cc([C@H](C)Cc4nccc5scnc45)n(C4CC4)c(=O)c23)cn1
InChIInChI=1S/C32H27N5OS.C27H20FN7O2S.C26H23N5O2S.C26H23N5OS/c1-20(36-31-30-28(14-15-33-31)39-19-35-30)27-17-22-9-7-12-25(23-16-21-8-5-6-13-26(21)34-18-23)29(22)32(38)37(27)24-10-3-2-4-11-24;1-15(34-24-23-25(32-13-31-24)38-14-33-23)21-9-16-5-3-8-20(17-11-29-27(37-2)30-12-17)22(16)26(36)35(21)19-7-4-6-18(28)10-19;1-15(10-20-24-22(8-9-27-20)34-14-30-24)21-11-16-4-3-5-19(17-12-28-26(33-2)29-13-17)23(16)25(32)31(21)18-6-7-18;1-15(10-21-25-23(8-9-27-21)33-14-30-25)22-11-17-4-3-5-20(18-12-28-16(2)29-13-18)24(17)26(32)31(22)19-6-7-19/h2-4,7,9-12,14-20H,5-6,8,13H2,1H3,(H,33,36);3-15H,1-2H3,(H,31,32,34);3-5,8-9,11-15,18H,6-7,10H2,1-2H3;3-5,8-9,11-15,19H,6-7,10H2,1-2H3/t20-;3*15-/m0011/s1
InChIKeyBFCIJBHHRMPVJK-QXSPDZDESA-N
XLogP22.88
TPSA336.76 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001978.38
LogP ≤ 522.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze 2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one with MolForge

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Related Compounds

2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
CID 71235906
2-(3-Fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
CID 78044024
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
N-[6-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]cyclopropanecarboxamide;N-[6-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(3-methylphenyl)carbamoyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide;N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
CID 158042459
2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
CID 158057561
3-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-(3-methylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-methoxybenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 158099567
3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 158486119
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158792541
8-(6-methoxy-5-methyl-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyrido[2,3-b]pyrazin-7-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
CID 158961545
1-(4-Aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone
CID 159034275
(1R,5S)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-1-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(3-methylnaphthalen-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-quinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159386052
8-(6-methoxy-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(5-methyl-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyrimidin-5-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-8-[2-(trifluoromethyl)-4-pyridinyl]isoquinolin-1-one
CID 160516193

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one?
The IUPAC name of 2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one (CID 157329320) is 2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one.
What is the SMILES notation for 2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one?
The canonical SMILES for 2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one is COc1ncc(-c2cccc3cc([C@H](C)Cc4nccc5scnc45)n(C4CC4)c(=O)c23)cn1.COc1ncc(-c2cccc3cc([C@H](C)Nc4ncnc5scnc45)n(-c4cccc(F)c4)c(=O)c23)cn1.C[C@H](Nc1nccc2scnc12)c1cc2cccc(-c3cnc4c(c3)CCCC4)c2c(=O)n1-c1ccccc1.Cc1ncc(-c2cccc3cc([C@H](C)Cc4nccc5scnc45)n(C4CC4)c(=O)c23)cn1.
What is the InChIKey of 2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one?
The InChIKey is BFCIJBHHRMPVJK-QXSPDZDESA-N. The full InChI is InChI=1S/C32H27N5OS.C27H20FN7O2S.C26H23N5O2S.C26H23N5OS/c1-20(36-31-30-28(14-15-33-31)39-19-35-30)27-17-22-9-7-12-25(23-16-21-8-5-6-13-26(21)34-18-23)29(22)32(38)37(27)24-10-3-2-4-11-24;1-15(34-24-23-25(32-13-31-24)38-14-33-23)21-9-16-5-3-8-20(17-11-29-27(37-2)30-12-17)22(16)26(36)35(21)19-7-4-6-18(28)10-19;1-15(10-20-24-22(8-9-27-20)34-14-30-24)21-11-16-4-3-5-19(17-12-28-26(33-2)29-13-17)23(16)25(32)31(21)18-6-7-18;1-15(10-21-25-23(8-9-27-21)33-14-30-25)22-11-17-4-3-5-20(18-12-28-16(2)29-13-18)24(17)26(32)31(22)19-6-7-19/h2-4,7,9-12,14-20H,5-6,8,13H2,1H3,(H,33,36);3-15H,1-2H3,(H,31,32,34);3-5,8-9,11-15,18H,6-7,10H2,1-2H3;3-5,8-9,11-15,19H,6-7,10H2,1-2H3/t20-;3*15-/m0011/s1.
What are the key properties of 2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one?
2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one has a molecular weight of 1978.38 g/mol, XLogP of 22.88, 22 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one is sourced from PubChem (CID 157329320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).