About (3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
(3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile (PubChem CID 157376755) has the molecular formula C141H160ClF2N33O10S
and a molecular weight of 2582.57 g/mol. Its IUPAC name is (3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of (3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The IUPAC name of (3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile (CID 157376755) is (3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for (3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The canonical SMILES for (3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile is C#C[C@@H]1CN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cc(F)cc5nc(C)c(C)nc45)nn3cc2C)C[C@@H]1O.CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc3nc(N4C[C@@H](C#N)[C@@H](C)C4)c(C)cn3n2)c1.Cc1cc(C(=O)N2CCCC[C@H]2c2cc3nc(N4C[C@@H](C#N)[C@@H](C)C4)c(C)cn3n2)c2[nH]ncc2c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3OC(C)C)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3OC3CCCC3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.
What is the InChIKey of (3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The InChIKey is BKKJKOJYSKAGPI-OHXZXDFCSA-N. The full InChI is InChI=1S/C30H36N6O2.C29H30FN7O2.C28H33ClN6O2.C27H31FN6O3S.C27H30N8O/c1-20-17-34(19-22(20)16-31)29-21(2)18-36-28(32-29)15-25(33-36)26-12-7-8-14-35(26)30(37)24-11-5-6-13-27(24)38-23-9-3-4-10-23;1-5-19-14-35(15-25(19)38)28-16(2)13-37-26(33-28)12-22(34-37)24-8-6-7-9-36(24)29(39)21-10-20(30)11-23-27(21)32-18(4)17(3)31-23;1-17(2)37-25-9-8-21(29)11-22(25)28(36)34-10-6-5-7-24(34)23-12-26-31-27(19(4)15-35(26)32-23)33-14-18(3)20(13-30)16-33;1-4-38(36,37)20-8-9-22(28)21(11-20)27(35)33-10-6-5-7-24(33)23-12-25-30-26(18(3)15-34(25)31-23)32-14-17(2)19(13-29)16-32;1-16-8-19-12-29-31-25(19)21(9-16)27(36)34-7-5-4-6-23(34)22-10-24-30-26(18(3)14-35(24)32-22)33-13-17(2)20(11-28)15-33/h5-6,11,13,15,18,20,22-23,26H,3-4,7-10,12,14,17,19H2,1-2H3;1,10-13,19,24-25,38H,6-9,14-15H2,2-4H3;8-9,11-12,15,17-18,20,24H,5-7,10,14,16H2,1-4H3;8-9,11-12,15,17,19,24H,4-7,10,14,16H2,1-3H3;8-10,12,14,17,20,23H,4-7,13,15H2,1-3H3,(H,29,31)/t20-,22+,26-;19-,24+,25+;18-,20+,24-;17-,19+,24-;17-,20+,23-/m01000/s1.
What are the key properties of (3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
(3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile has a molecular weight of 2582.57 g/mol, XLogP of 22.42, 21 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[2-[(2S)-1-(5-chloro-2-propan-2-yloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-cyclopentyloxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(5-ethylsulfonyl-2-fluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;[(2S)-2-[5-[(3R,4R)-3-ethynyl-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 157376755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).