(3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile

C164H179ClF3N41O12S — CID 160943324

About (3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile

(3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile (PubChem CID 160943324) has the molecular formula C164H179ClF3N41O12S and a molecular weight of 3041.02 g/mol. Its IUPAC name is (3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile.

Molecular Properties

• Compound Name: (3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
• PubChem CID: 160943324
• Molecular Formula: C164H179ClF3N41O12S
• Molecular Weight: 3041.02 g/mol
• Exact Mass: 3038.40
• IUPAC Name: (3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
• SMILES: C#C[C@@H]1CN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cc(F)cc5nc(C)c(C)nc45)nn3cc2C)C[C@@H]1O.Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3C[C@@H](C#N)[C@@H](C)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(Cl)nc4ccccn34)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4c(OC(F)F)cccc4[nH]3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4c3CCCN4)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4c3OCO4)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1
• InChI: InChI=1S/C29H30FN7O2.C28H29F2N7O2.C28H33N7O.C27H32N6O3S.C26H27ClN8O.C26H28N6O3/c1-5-19-14-35(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;1-16-13-35(15-18(16)12-31)26-17(2)14-37-25(33-26)11-21(34-37)23-7-3-4-9-36(23)27(38)22-10-19-20(32-22)6-5-8-24(19)39-28(29)30;1-18-15-33(17-20(18)14-29)27-19(2)16-35-26(31-27)13-24(32-35)25-10-3-4-12-34(25)28(36)22-7-5-9-23-21(22)8-6-11-30-23;1-17-8-9-21(37(4,35)36)11-22(17)27(34)32-10-6-5-7-24(32)23-12-25-29-26(19(3)15-33(25)30-23)31-14-18(2)20(13-28)16-31;1-16-13-32(15-18(16)12-28)25-17(2)14-35-22(30-25)11-19(31-35)20-7-3-5-9-33(20)26(36)23-24(27)29-21-8-4-6-10-34(21)23;1-16-12-30(14-18(16)11-27)25-17(2)13-32-23(28-25)10-20(29-32)21-7-3-4-9-31(21)26(33)19-6-5-8-22-24(19)35-15-34-22/h1,10-13,19,24-25,38H,6-9,14-15H2,2-4H3;5-6,8,10-11,14,16,18,23,28,32H,3-4,7,9,13,15H2,1-2H3;5,7,9,13,16,18,20,25,30H,3-4,6,8,10-12,15,17H2,1-2H3;8-9,11-12,15,18,20,24H,5-7,10,14,16H2,1-4H3;4,6,8,10-11,14,16,18,20H,3,5,7,9,13,15H2,1-2H3;5-6,8,10,13,16,18,21H,3-4,7,9,12,14-15H2,1-2H3/t19-,24+,25+;16-,18+,23-;18-,20+,25-;18-,20+,24-;16-,18+,20-;16-,18+,21-/m100000/s1
• InChIKey: SUUHOLWTEFHWJX-NEJDLLOESA-N
• XLogP: 24.72
• TPSA: 594.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 46
• Rotatable Bonds: 21
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3041.02
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?

The IUPAC name of (3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile (CID 160943324) is (3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-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-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?

The canonical SMILES for (3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-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.Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3C[C@@H](C#N)[C@@H](C)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(Cl)nc4ccccn34)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4c(OC(F)F)cccc4[nH]3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4c3CCCN4)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4c3OCO4)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.

What is the InChIKey of (3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?

The InChIKey is SUUHOLWTEFHWJX-NEJDLLOESA-N. The full InChI is InChI=1S/C29H30FN7O2.C28H29F2N7O2.C28H33N7O.C27H32N6O3S.C26H27ClN8O.C26H28N6O3/c1-5-19-14-35(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;1-16-13-35(15-18(16)12-31)26-17(2)14-37-25(33-26)11-21(34-37)23-7-3-4-9-36(23)27(38)22-10-19-20(32-22)6-5-8-24(19)39-28(29)30;1-18-15-33(17-20(18)14-29)27-19(2)16-35-26(31-27)13-24(32-35)25-10-3-4-12-34(25)28(36)22-7-5-9-23-21(22)8-6-11-30-23;1-17-8-9-21(37(4,35)36)11-22(17)27(34)32-10-6-5-7-24(32)23-12-25-29-26(19(3)15-33(25)30-23)31-14-18(2)20(13-28)16-31;1-16-13-32(15-18(16)12-28)25-17(2)14-35-22(30-25)11-19(31-35)20-7-3-5-9-33(20)26(36)23-24(27)29-21-8-4-6-10-34(21)23;1-16-12-30(14-18(16)11-27)25-17(2)13-32-23(28-25)10-20(29-32)21-7-3-4-9-31(21)26(33)19-6-5-8-22-24(19)35-15-34-22/h1,10-13,19,24-25,38H,6-9,14-15H2,2-4H3;5-6,8,10-11,14,16,18,23,28,32H,3-4,7,9,13,15H2,1-2H3;5,7,9,13,16,18,20,25,30H,3-4,6,8,10-12,15,17H2,1-2H3;8-9,11-12,15,18,20,24H,5-7,10,14,16H2,1-4H3;4,6,8,10-11,14,16,18,20H,3,5,7,9,13,15H2,1-2H3;5-6,8,10,13,16,18,21H,3-4,7,9,12,14-15H2,1-2H3/t19-,24+,25+;16-,18+,23-;18-,20+,25-;18-,20+,24-;16-,18+,20-;16-,18+,21-/m100000/s1.

What are the key properties of (3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?

(3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile has a molecular weight of 3041.02 g/mol, XLogP of 24.72, 21 rotatable bonds, 3 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-1-[2-[(2S)-1-(1,3-benzodioxole-4-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]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-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 160943324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).