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

C114H95F3N20O6S4 — CID 158057561

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;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
SMILESCOc1ncc(-c2cccc3cc([C@H](C)Cc4nccc5scnc45)n(C4CC4)c(=O)c23)cn1.COc1ncc(-c2cccc3cc([C@H](C)Nc4nccc5scnc45)n(-c4ccccc4)c(=O)c23)cc1C(F)(F)F.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.C30H22F3N5O2S.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;1-17(37-27-26-24(11-12-34-27)41-16-36-26)23-14-18-7-6-10-21(19-13-22(30(31,32)33)28(40-2)35-15-19)25(18)29(39)38(23)20-8-4-3-5-9-20;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);3-17H,1-2H3,(H,34,37);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-;17-;2*15-/m0011/s1
InChIKeyFKFZISXHOZZEBP-GYONLZSOSA-N
MW2026.41 g/mol
LogP24.97
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;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

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 (PubChem CID 158057561) has the molecular formula C114H95F3N20O6S4 and a molecular weight of 2026.41 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;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.

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;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
PubChem CID158057561
Molecular FormulaC114H95F3N20O6S4
Molecular Weight2026.41 g/mol
Exact Mass2024.66
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;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
SMILESCOc1ncc(-c2cccc3cc([C@H](C)Cc4nccc5scnc45)n(C4CC4)c(=O)c23)cn1.COc1ncc(-c2cccc3cc([C@H](C)Nc4nccc5scnc45)n(-c4ccccc4)c(=O)c23)cc1C(F)(F)F.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.C30H22F3N5O2S.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;1-17(37-27-26-24(11-12-34-27)41-16-36-26)23-14-18-7-6-10-21(19-13-22(30(31,32)33)28(40-2)35-15-19)25(18)29(39)38(23)20-8-4-3-5-9-20;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);3-17H,1-2H3,(H,34,37);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-;17-;2*15-/m0011/s1
InChIKeyFKFZISXHOZZEBP-GYONLZSOSA-N
XLogP24.97
TPSA310.98 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.41
LogP ≤ 524.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

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;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 with MolForge

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Launch Full Analysis

Related Compounds

8-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
CID 71235925
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
CID 71241497
8-[6-Methoxy-5-(trifluoromethyl)pyridin-3-yl]-2-phenyl-3-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
CID 78044028
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
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
8-(6-methoxy-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
CID 71235886
8-(6-methoxy-5-methyl-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
CID 71235923
8-(6-Methoxy-3-pyridinyl)-2-phenyl-3-[1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
CID 78044005
3-[(1R)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-[[2-methyl-5-(1,3-thiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one;8-(1-methyl-6-oxo-3-pyridinyl)-3-[(1S)-1-[[2-methyl-5-(1,3-thiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one
CID 157077576
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
methane;2-(7-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-1,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 157575221
8-(5,6-dimethyl-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methylpyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
CID 157703202

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;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?
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;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) 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;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.
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;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?
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;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 is COc1ncc(-c2cccc3cc([C@H](C)Cc4nccc5scnc45)n(C4CC4)c(=O)c23)cn1.COc1ncc(-c2cccc3cc([C@H](C)Nc4nccc5scnc45)n(-c4ccccc4)c(=O)c23)cc1C(F)(F)F.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;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?
The InChIKey is FKFZISXHOZZEBP-GYONLZSOSA-N. The full InChI is InChI=1S/C32H27N5OS.C30H22F3N5O2S.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;1-17(37-27-26-24(11-12-34-27)41-16-36-26)23-14-18-7-6-10-21(19-13-22(30(31,32)33)28(40-2)35-15-19)25(18)29(39)38(23)20-8-4-3-5-9-20;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);3-17H,1-2H3,(H,34,37);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-;17-;2*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;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?
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 has a molecular weight of 2026.41 g/mol, XLogP of 24.97, 22 rotatable bonds, 2 hydrogen bond donors, and 30 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;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 is sourced from PubChem (CID 158057561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).