About 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 161119224) has the molecular formula C167H168ClF3N34O19
and a molecular weight of 3047.85 g/mol. Its IUPAC name is 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 161119224) is 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CN1CC[C@@](C)(C#Cc2cc(-n3nc(C(N)=O)c4cccnc43)cc(C(F)(F)F)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c(Cl)cccc43)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@@H]4CC(=O)C3CC3)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@@H]4n3cccn3)c2)C1=O.CN1CC[C@@](C)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@H]4n3cccn3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN(CC(C)(C)O)C4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(CO)ccc43)c2)C1=O.
What is the InChIKey of 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is UKSNZBFRGZOTOR-WBOHQDJOSA-N. The full InChI is InChI=1S/C27H30N4O3.2C25H26N6O2.C24H29N5O4.C22H19ClN4O2.C22H18F3N5O2.C22H20N4O4/c1-27(13-14-30(2)26(27)34)12-11-17-5-3-7-20(15-17)31-21-8-4-6-19(16-22(32)18-9-10-18)23(21)24(29-31)25(28)33;2*1-25(12-15-29(2)24(25)33)11-10-17-6-3-7-18(16-17)31-20-9-4-8-19(30-14-5-13-27-30)21(20)22(28-31)23(26)32;1-23(2,32)15-28-11-8-19-18(14-28)20(21(25)30)26-29(19)17-6-4-5-16(13-17)7-9-24(33)10-12-27(3)22(24)31;1-22(11-12-26(2)21(22)29)10-9-14-5-3-6-15(13-14)27-17-8-4-7-16(23)18(17)19(25-27)20(24)28;1-21(7-9-29(2)20(21)32)6-5-13-10-14(22(23,24)25)12-15(11-13)30-19-16(4-3-8-27-19)17(28-30)18(26)31;1-25-10-9-22(30,21(25)29)8-7-14-3-2-4-16(11-14)26-18-6-5-15(13-27)12-17(18)19(24-26)20(23)28/h3,5,7,15,18-19H,4,6,8-10,13-14,16H2,1-2H3,(H2,28,33);2*3,5-7,13-14,16,19H,4,8-9,12,15H2,1-2H3,(H2,26,32);4-6,13,32-33H,8,10-12,14-15H2,1-3H3,(H2,25,30);3-8,13H,11-12H2,1-2H3,(H2,24,28);3-4,8,10-12H,7,9H2,1-2H3,(H2,26,31);2-6,11-12,27,30H,9-10,13H2,1H3,(H2,23,28)/t19-,27-;19-,25+;19-,25-;24-;22-;21-;22-/m1010110/s1.
What are the key properties of 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 3047.85 g/mol, XLogP of 13.97, 22 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;(4R)-4-(2-cyclopropyl-2-oxoethyl)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;(4R)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;(4S)-1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-pyrazol-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[3-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-3-carboxamide;5-(hydroxymethyl)-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]indazole-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(2-hydroxy-2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 161119224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).