(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone

C129H155ClF2N32O10S2 — CID 159752370

IUPAC(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
SMILESCc1cc(C)n2c(C(=O)N3CCCC[C@H]3c3cc4nc(N5CC[C@H](C)C5)c(C)cn4n3)nnc2c1.Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](C)C3)c(C)cn2n1.Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](C)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(Cl)nc4ccccn34)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4c(OC(F)F)cccc4[nH]3)cc2nc1N1CC[C@H](C)C1
InChIInChI=1S/C27H30F2N6O2.C26H32N8O.C26H33N5O3S.C25H28ClN7O.C25H32N6O3S/c1-16-9-11-33(14-16)25-17(2)15-35-24(31-25)13-20(32-35)22-7-3-4-10-34(22)26(36)21-12-18-19(30-21)6-5-8-23(18)37-27(28)29;1-16-8-10-31(14-16)24-18(3)15-33-22(27-24)13-20(30-33)21-7-5-6-9-32(21)26(35)25-29-28-23-12-17(2)11-19(4)34(23)25;1-17-10-12-29(15-17)25-19(3)16-31-24(27-25)14-22(28-31)23-7-5-6-11-30(23)26(32)21-13-20(35(4,33)34)9-8-18(21)2;1-16-9-12-30(14-16)24-17(2)15-33-21(28-24)13-18(29-33)19-7-3-5-10-31(19)25(34)22-23(26)27-20-8-4-6-11-32(20)22;1-16-9-11-29(14-16)24-18(3)15-31-23(27-24)13-21(28-31)22-6-4-5-10-30(22)25(32)20-12-19(35(26,33)34)8-7-17(20)2/h5-6,8,12-13,15-16,22,27,30H,3-4,7,9-11,14H2,1-2H3;11-13,15-16,21H,5-10,14H2,1-4H3;8-9,13-14,16-17,23H,5-7,10-12,15H2,1-4H3;4,6,8,11,13,15-16,19H,3,5,7,9-10,12,14H2,1-2H3;7-8,12-13,15-16,22H,4-6,9-11,14H2,1-3H3,(H2,26,33,34)/t16-,22-;16-,21-;17-,23-;16-,19-;16-,22-/m00000/s1
InChIKeyNDURELJEDYQNFE-VPXJPRRUSA-N
MW2451.46 g/mol
LogP20.97
Rot. Bonds19

About (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone

(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone (PubChem CID 159752370) has the molecular formula C129H155ClF2N32O10S2 and a molecular weight of 2451.46 g/mol. Its IUPAC name is (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
PubChem CID159752370
Molecular FormulaC129H155ClF2N32O10S2
Molecular Weight2451.46 g/mol
Exact Mass2449.17
IUPAC Name(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
SMILESCc1cc(C)n2c(C(=O)N3CCCC[C@H]3c3cc4nc(N5CC[C@H](C)C5)c(C)cn4n3)nnc2c1.Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](C)C3)c(C)cn2n1.Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](C)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(Cl)nc4ccccn34)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4c(OC(F)F)cccc4[nH]3)cc2nc1N1CC[C@H](C)C1
InChIInChI=1S/C27H30F2N6O2.C26H32N8O.C26H33N5O3S.C25H28ClN7O.C25H32N6O3S/c1-16-9-11-33(14-16)25-17(2)15-35-24(31-25)13-20(32-35)22-7-3-4-10-34(22)26(36)21-12-18-19(30-21)6-5-8-23(18)37-27(28)29;1-16-8-10-31(14-16)24-18(3)15-33-22(27-24)13-20(30-33)21-7-5-6-9-32(21)26(35)25-29-28-23-12-17(2)11-19(4)34(23)25;1-17-10-12-29(15-17)25-19(3)16-31-24(27-25)14-22(28-31)23-7-5-6-11-30(23)26(32)21-13-20(35(4,33)34)9-8-18(21)2;1-16-9-12-30(14-16)24-17(2)15-33-21(28-24)13-18(29-33)19-7-3-5-10-31(19)25(34)22-23(26)27-20-8-4-6-11-32(20)22;1-16-9-11-29(14-16)24-18(3)15-31-23(27-24)13-21(28-31)22-6-4-5-10-30(22)25(32)20-12-19(35(26,33)34)8-7-17(20)2/h5-6,8,12-13,15-16,22,27,30H,3-4,7,9-11,14H2,1-2H3;11-13,15-16,21H,5-10,14H2,1-4H3;8-9,13-14,16-17,23H,5-7,10-12,15H2,1-4H3;4,6,8,11,13,15-16,19H,3,5,7,9-10,12,14H2,1-2H3;7-8,12-13,15-16,22H,4-6,9-11,14H2,1-3H3,(H2,26,33,34)/t16-,22-;16-,21-;17-,23-;16-,19-;16-,22-/m00000/s1
InChIKeyNDURELJEDYQNFE-VPXJPRRUSA-N
XLogP20.97
TPSA435.51 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds19
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002451.46
LogP ≤ 520.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone with MolForge

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Related Compounds

(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;(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-(pyrazolo[1,5-a]pyridine-7-carbonyl)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 159019822
(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 159210860
1,3-benzodioxol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 159454064
(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 160233299
(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
(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-(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-[4-(difluoromethoxy)-1H-indole-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(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)-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
CID 161109163
8-(6-cyclopropyl-4-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4,6-dimethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-4-methylsulfonylphenyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-propan-2-ylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N,6-trimethylpyridine-2-carboxamide
CID 161643133
(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
CID 161961300

Frequently Asked Questions

What is the IUPAC name of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
The IUPAC name of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone (CID 159752370) is (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone.
What is the SMILES notation for (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
The canonical SMILES for (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone is Cc1cc(C)n2c(C(=O)N3CCCC[C@H]3c3cc4nc(N5CC[C@H](C)C5)c(C)cn4n3)nnc2c1.Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](C)C3)c(C)cn2n1.Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](C)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3c(Cl)nc4ccccn34)cc2nc1N1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4c(OC(F)F)cccc4[nH]3)cc2nc1N1CC[C@H](C)C1.
What is the InChIKey of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
The InChIKey is NDURELJEDYQNFE-VPXJPRRUSA-N. The full InChI is InChI=1S/C27H30F2N6O2.C26H32N8O.C26H33N5O3S.C25H28ClN7O.C25H32N6O3S/c1-16-9-11-33(14-16)25-17(2)15-35-24(31-25)13-20(32-35)22-7-3-4-10-34(22)26(36)21-12-18-19(30-21)6-5-8-23(18)37-27(28)29;1-16-8-10-31(14-16)24-18(3)15-33-22(27-24)13-20(30-33)21-7-5-6-9-32(21)26(35)25-29-28-23-12-17(2)11-19(4)34(23)25;1-17-10-12-29(15-17)25-19(3)16-31-24(27-25)14-22(28-31)23-7-5-6-11-30(23)26(32)21-13-20(35(4,33)34)9-8-18(21)2;1-16-9-12-30(14-16)24-17(2)15-33-21(28-24)13-18(29-33)19-7-3-5-10-31(19)25(34)22-23(26)27-20-8-4-6-11-32(20)22;1-16-9-11-29(14-16)24-18(3)15-31-23(27-24)13-21(28-31)22-6-4-5-10-30(22)25(32)20-12-19(35(26,33)34)8-7-17(20)2/h5-6,8,12-13,15-16,22,27,30H,3-4,7,9-11,14H2,1-2H3;11-13,15-16,21H,5-10,14H2,1-4H3;8-9,13-14,16-17,23H,5-7,10-12,15H2,1-4H3;4,6,8,11,13,15-16,19H,3,5,7,9-10,12,14H2,1-2H3;7-8,12-13,15-16,22H,4-6,9-11,14H2,1-3H3,(H2,26,33,34)/t16-,22-;16-,21-;17-,23-;16-,19-;16-,22-/m00000/s1.
What are the key properties of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone has a molecular weight of 2451.46 g/mol, XLogP of 20.97, 19 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[4-(difluoromethoxy)-1H-indol-2-yl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;4-methyl-3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzenesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone is sourced from PubChem (CID 159752370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).