About 1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide
1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide (PubChem CID 162015527) has the molecular formula C145H129N29O23S
and a molecular weight of 2677.87 g/mol. Its IUPAC name is 1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide?
The IUPAC name of 1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide (CID 162015527) is 1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide?
The canonical SMILES for 1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide is C=C1OCC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.C=C1OCC[C@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1.CN1CC[C@@](O)(C#Cc2cc(-n3nc(C(N)=O)c4c3CCCC4)ccc2C#N)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3[C@@H](O)CC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3[C@H](O)CC4)c2)C1=O.COc1cc2c(C(N)=O)nn(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2nn1.C[C@@](O)(C#Cc1cccc(-n2nc(C(N)=O)c3ccccc32)c1)c1nccs1.
What is the InChIKey of 1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide?
The InChIKey is YUBDWTAGAOOOEP-YCOADUCUSA-N. The full InChI is InChI=1S/C22H21N5O3.C21H16N4O2S.2C21H17N3O3.C20H18N6O4.2C20H20N4O4/c1-26-11-10-22(30,21(26)29)9-8-14-12-16(7-6-15(14)13-23)27-18-5-3-2-4-17(18)19(25-27)20(24)28;1-21(27,20-23-11-12-28-20)10-9-14-5-4-6-15(13-14)25-17-8-3-2-7-16(17)18(24-25)19(22)26;2*1-14-21(26,11-12-27-14)10-9-15-5-4-6-16(13-15)24-18-8-3-2-7-17(18)19(23-24)20(22)25;1-25-9-8-20(29,19(25)28)7-6-12-4-3-5-13(10-12)26-18-14(16(24-26)17(21)27)11-15(30-2)22-23-18;2*1-23-10-9-20(28,19(23)27)8-7-12-3-2-4-13(11-12)24-17-14(5-6-15(17)25)16(22-24)18(21)26/h6-7,12,30H,2-5,10-11H2,1H3,(H2,24,28);2-8,11-13,27H,1H3,(H2,22,26);2*2-8,13,26H,1,11-12H2,(H2,22,25);3-5,10-11,29H,8-9H2,1-2H3,(H2,21,27);2*2-4,11,15,25,28H,5-6,9-10H2,1H3,(H2,21,26)/t22-;3*21-;20-;15-,20+;15-,20-/m0110010/s1.
What are the key properties of 1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide?
1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide has a molecular weight of 2677.87 g/mol, XLogP of 7.45, 16 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(6S)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;(6R)-6-hydroxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3S)-3-hydroxy-2-methylideneoxolan-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxypyrazolo[3,4-c]pyridazine-3-carboxamide;1-[3-[(3R)-3-hydroxy-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]indazole-3-carboxamide is sourced from PubChem (CID 162015527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).