About 1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one
1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one (PubChem CID 158269629) has the molecular formula C101H93BrClF3N24O17
and a molecular weight of 2087.36 g/mol. Its IUPAC name is 1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one.
Frequently Asked Questions
What is the IUPAC name of 1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one?
The IUPAC name of 1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one (CID 158269629) is 1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one.
What is the SMILES notation for 1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one?
The canonical SMILES for 1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one is Brc1ccn(Cc2ccccc2)n1.CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(-n3ccc(N4CCOCC4=O)n3)c2C1=O.CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3CCOCC3=O)n2)c2c(n1)CNC2=O.O=C1COCCN1.O=C1COCCN1c1ccn(Cc2ccccc2)n1.O=C1COCCN1c1ccn[nH]1.
What is the InChIKey of 1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one?
The InChIKey is GIWGEWVAGUOADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O5.C21H15FN6O3.C19H15ClFN3O3.C14H15N3O2.C10H9BrN2.C7H9N3O2.C4H7NO2/c1-26(2,3)38-25(36)32-13-18-23(24(32)35)19(11-17(29-18)22-15(12-28)5-4-6-16(22)27)33-8-7-20(30-33)31-9-10-37-14-21(31)34;22-13-3-1-2-12(9-23)19(13)14-8-16(20-15(25-14)10-24-21(20)30)28-5-4-17(26-28)27-6-7-31-11-18(27)29;1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;18-14-11-19-9-8-17(14)13-6-7-16(15-13)10-12-4-2-1-3-5-12;11-10-6-7-13(12-10)8-9-4-2-1-3-5-9;11-7-5-12-4-3-10(7)6-1-2-8-9-6;6-4-3-7-2-1-5-4/h4-8,11H,9-10,13-14H2,1-3H3;1-5,8H,6-7,10-11H2,(H,24,30);4-7H,9H2,1-3H3;1-7H,8-11H2;1-7H,8H2;1-2H,3-5H2,(H,8,9);1-3H2,(H,5,6).
What are the key properties of 1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one?
1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one has a molecular weight of 2087.36 g/mol, XLogP of 11.95, 13 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-bromopyrazole;4-(1-benzylpyrazol-3-yl)morpholin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[5-oxo-4-[3-(3-oxomorpholin-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;morpholin-3-one;4-(1H-pyrazol-5-yl)morpholin-3-one is sourced from PubChem (CID 158269629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).