About 5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane
5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane (PubChem CID 157357290) has the molecular formula C97H97F3N22O13S3
and a molecular weight of 1932.18 g/mol. Its IUPAC name is 5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane.
Frequently Asked Questions
What is the IUPAC name of 5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane?
The IUPAC name of 5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane (CID 157357290) is 5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane.
What is the SMILES notation for 5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane?
The canonical SMILES for 5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane is C.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2CC(F)(F)C3)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2NCCC3)c1.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c(N)s3)c2)C1=O.CNc1nc2c(s1)c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1.Cc1sc(-c2cc(C#C[C@]3(O)CCN(C)C3=O)ccc2F)nc1C(N)=O.
What is the InChIKey of 5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane?
The InChIKey is BIFUVMAHWDNZPO-BMOXCQFGSA-N. The full InChI is InChI=1S/C21H20F2N4O2.C21H23N5O2.C19H18N6O3S.C18H16FN3O3S.C17H16N4O3S.CH4/c1-13-20(29,8-9-26(13)2)7-6-14-4-3-5-15(10-14)27-17-12-21(22,23)11-16(17)18(25-27)19(24)28;1-14-21(28,10-12-25(14)2)9-8-15-5-3-6-16(13-15)26-20-17(7-4-11-23-20)18(24-26)19(22)27;1-21-18-22-16-14(29-18)13(15(20)26)23-25(16)12-5-3-4-11(10-12)6-7-19(28)8-9-24(2)17(19)27;1-10-14(15(20)23)21-16(26-10)12-9-11(3-4-13(12)19)5-6-18(25)7-8-22(2)17(18)24;1-21-8-7-17(24,16(21)23)6-5-10-3-2-4-11(9-10)15-20-12(13(18)22)14(19)25-15;/h3-5,10,29H,1,8-9,11-12H2,2H3,(H2,24,28);3,5-6,13,23,28H,1,4,7,10-12H2,2H3,(H2,22,27);3-5,10,28H,8-9H2,1-2H3,(H2,20,26)(H,21,22);3-4,9,25H,7-8H2,1-2H3,(H2,20,23);2-4,9,24H,7-8,19H2,1H3,(H2,18,22);1H4/t20-;21-;19-;18-;17-;/m00000./s1.
What are the key properties of 5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane?
5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane has a molecular weight of 1932.18 g/mol, XLogP of 5.84, 11 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxamide;5,5-difluoro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide;2-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methyl-1,3-thiazole-4-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(methylamino)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide;methane is sourced from PubChem (CID 157357290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).