3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one

C113H94F3N27O7 — CID 161449959

IUPAC3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one
SMILESCOc1ncc(-c2cccc3cc([C@H](C)Cc4nc(C)ncc4C(F)(F)F)n(-c4ccccc4)c(=O)c23)cn1.[C-]#[N+]c1cnc(C)nc1N[C@@H](C)c1cc2cccc(-c3cncc(O)c3)c2c(=O)n1-c1ccccc1.[C-]#[N+]c1cnc(N)nc1N[C@@H](C)c1cc2cccc(-c3cnc(C)nc3)c2c(=O)n1-c1cccc(C)c1.[C-]#[N+]c1cnc(N)nc1N[C@@H](C)c1cc2cccc(-c3cnc(OC)nc3)c2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C29H24F3N5O2.C28H24N8O2.C28H24N8O.C28H22N6O2/c1-17(12-24-23(29(30,31)32)16-33-18(2)36-24)25-13-19-8-7-11-22(20-14-34-28(39-3)35-15-20)26(19)27(38)37(25)21-9-5-4-6-10-21;1-16-7-5-9-20(11-16)36-23(17(2)34-25-22(30-3)15-31-27(29)35-25)12-18-8-6-10-21(24(18)26(36)37)19-13-32-28(38-4)33-14-19;1-16-7-5-9-21(11-16)36-24(17(2)34-26-23(30-4)15-33-28(29)35-26)12-19-8-6-10-22(25(19)27(36)37)20-13-31-18(3)32-14-20;1-17(32-27-24(29-3)16-31-18(2)33-27)25-13-19-8-7-11-23(20-12-22(35)15-30-14-20)26(19)28(36)34(25)21-9-5-4-6-10-21/h4-11,13-17H,12H2,1-3H3;5-15,17H,1-2,4H3,(H3,29,31,34,35);5-15,17H,1-3H3,(H3,29,33,34,35);4-17,35H,1-2H3,(H,31,32,33)/t4*17-/m1000/s1
InChIKeyWAKAOFQSKJDDEW-BYXNXHRPSA-N
MW1999.17 g/mol
LogP21.52
Rot. Bonds22

About 3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one

3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one (PubChem CID 161449959) has the molecular formula C113H94F3N27O7 and a molecular weight of 1999.17 g/mol. Its IUPAC name is 3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one
PubChem CID161449959
Molecular FormulaC113H94F3N27O7
Molecular Weight1999.17 g/mol
Exact Mass1997.78
IUPAC Name3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one
SMILESCOc1ncc(-c2cccc3cc([C@H](C)Cc4nc(C)ncc4C(F)(F)F)n(-c4ccccc4)c(=O)c23)cn1.[C-]#[N+]c1cnc(C)nc1N[C@@H](C)c1cc2cccc(-c3cncc(O)c3)c2c(=O)n1-c1ccccc1.[C-]#[N+]c1cnc(N)nc1N[C@@H](C)c1cc2cccc(-c3cnc(C)nc3)c2c(=O)n1-c1cccc(C)c1.[C-]#[N+]c1cnc(N)nc1N[C@@H](C)c1cc2cccc(-c3cnc(OC)nc3)c2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C29H24F3N5O2.C28H24N8O2.C28H24N8O.C28H22N6O2/c1-17(12-24-23(29(30,31)32)16-33-18(2)36-24)25-13-19-8-7-11-22(20-14-34-28(39-3)35-15-20)26(19)27(38)37(25)21-9-5-4-6-10-21;1-16-7-5-9-20(11-16)36-23(17(2)34-25-22(30-3)15-31-27(29)35-25)12-18-8-6-10-21(24(18)26(36)37)19-13-32-28(38-4)33-14-19;1-16-7-5-9-21(11-16)36-24(17(2)34-26-23(30-4)15-33-28(29)35-26)12-19-8-6-10-22(25(19)27(36)37)20-13-31-18(3)32-14-20;1-17(32-27-24(29-3)16-31-18(2)33-27)25-13-19-8-7-11-23(20-12-22(35)15-30-14-20)26(19)28(36)34(25)21-9-5-4-6-10-21/h4-11,13-17H,12H2,1-3H3;5-15,17H,1-2,4H3,(H3,29,31,34,35);5-15,17H,1-3H3,(H3,29,33,34,35);4-17,35H,1-2H3,(H,31,32,33)/t4*17-/m1000/s1
InChIKeyWAKAOFQSKJDDEW-BYXNXHRPSA-N
XLogP21.52
TPSA421.25 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001999.17
LogP ≤ 521.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(1S)-1-[[5-(3-fluoro-4-hydroxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methyl-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 71273681
3-[(1S)-1-[[5-(3-fluoro-5-hydroxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methyl-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 71273682
3-[(1S)-1-[[2-amino-5-(3-fluoro-4-hydroxyphenyl)pyrimidin-4-yl]amino]ethyl]-8-(2-methyl-4-pyridinyl)-2-phenylisoquinolin-1-one
CID 71274113
3-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-8-[5-(difluoromethoxy)-3-pyridinyl]-2-phenylisoquinolin-1-one
CID 71291817
3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-phenyl-8-[5-(trifluoromethoxy)-3-pyridinyl]isoquinolin-1-one
CID 123247790
3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-[5-(difluoromethoxy)-3-pyridinyl]-2-phenylisoquinolin-1-one
CID 123844146
2-fluoro-N-[1-[2-[4-fluoro-5-[[5-[5-(hydroxymethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]carbamoyl]-2-(trifluoromethyl)phenyl]pyrimidin-5-yl]-2-phenyl-5-pyridin-2-yloxypyridin-1-ium-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 123927950
N-[3-(1,1-difluoropropyl)-4-hydroxyphenyl]-4-fluoro-3-[(6-piperidin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzamide;4-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]-3-[[6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzamide
CID 143951857
N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-(2-hydroxyethyl)-2-methyl-4-[[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenyl-8-[5-(trifluoromethoxy)-3-pyridinyl]isoquinolin-1-one;methane;8-(2-methoxy-4-pyridinyl)-3-[(1S)-1-[(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 157126534
8-(4-chlorophenyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;2-methyl-4-[[(1S)-1-[1-oxo-2-phenyl-8-(5-propan-2-yloxy-3-pyridinyl)isoquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;2-methyl-4-[[(1S)-1-[1-oxo-2-phenyl-8-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 157133085
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyrimidin-4-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide
CID 157200092
2-(3-fluorophenyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)isoquinolin-1-one;2-(3-fluorophenyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one
CID 157265028

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one?
The IUPAC name of 3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one (CID 161449959) is 3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one.
What is the SMILES notation for 3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one?
The canonical SMILES for 3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one is COc1ncc(-c2cccc3cc([C@H](C)Cc4nc(C)ncc4C(F)(F)F)n(-c4ccccc4)c(=O)c23)cn1.[C-]#[N+]c1cnc(C)nc1N[C@@H](C)c1cc2cccc(-c3cncc(O)c3)c2c(=O)n1-c1ccccc1.[C-]#[N+]c1cnc(N)nc1N[C@@H](C)c1cc2cccc(-c3cnc(C)nc3)c2c(=O)n1-c1cccc(C)c1.[C-]#[N+]c1cnc(N)nc1N[C@@H](C)c1cc2cccc(-c3cnc(OC)nc3)c2c(=O)n1-c1cccc(C)c1.
What is the InChIKey of 3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one?
The InChIKey is WAKAOFQSKJDDEW-BYXNXHRPSA-N. The full InChI is InChI=1S/C29H24F3N5O2.C28H24N8O2.C28H24N8O.C28H22N6O2/c1-17(12-24-23(29(30,31)32)16-33-18(2)36-24)25-13-19-8-7-11-22(20-14-34-28(39-3)35-15-20)26(19)27(38)37(25)21-9-5-4-6-10-21;1-16-7-5-9-20(11-16)36-23(17(2)34-25-22(30-3)15-31-27(29)35-25)12-18-8-6-10-21(24(18)26(36)37)19-13-32-28(38-4)33-14-19;1-16-7-5-9-21(11-16)36-24(17(2)34-26-23(30-4)15-33-28(29)35-26)12-19-8-6-10-22(25(19)27(36)37)20-13-31-18(3)32-14-20;1-17(32-27-24(29-3)16-31-18(2)33-27)25-13-19-8-7-11-23(20-12-22(35)15-30-14-20)26(19)28(36)34(25)21-9-5-4-6-10-21/h4-11,13-17H,12H2,1-3H3;5-15,17H,1-2,4H3,(H3,29,31,34,35);5-15,17H,1-3H3,(H3,29,33,34,35);4-17,35H,1-2H3,(H,31,32,33)/t4*17-/m1000/s1.
What are the key properties of 3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one?
3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one has a molecular weight of 1999.17 g/mol, XLogP of 21.52, 22 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-(3-methylphenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one is sourced from PubChem (CID 161449959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).