N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide

C115H138Cl4N28O15S5 — CID 157055989

IUPACN-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cn2nc(N3CCC3)ccc2n1.Cc1cc(C)n2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nc2c1.Cc1cc(N2CC[C@H](N)C2)nn2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nc12.Cc1cc2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cn2nc1N1CC[C@H](N)C1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3cc(C)cc(C)n3n2)c1
InChIInChI=1S/2C24H30ClN7O3S.C23H28N4O3S.C22H25ClN6O3S.C22H25ClN4O3S/c1-15-11-22(30-10-8-17(26)13-30)28-32-14-20(27-23(15)32)21-5-3-4-9-31(21)24(33)18-12-16(25)6-7-19(18)29-36(2,34)35;1-15-11-22-27-20(14-32(22)28-23(15)30-10-8-17(26)13-30)21-5-3-4-9-31(21)24(33)18-12-16(25)6-7-19(18)29-36(2,34)35;1-15-8-9-20(25-31(4,29)30)19(13-15)23(28)26-10-6-5-7-22(26)21-14-18-12-16(2)11-17(3)27(18)24-21;1-33(31,32)26-17-7-6-15(23)13-16(17)22(30)28-12-3-2-5-19(28)18-14-29-20(24-18)8-9-21(25-29)27-10-4-11-27;1-14-10-15(2)27-13-19(24-21(27)11-14)20-6-4-5-9-26(20)22(28)17-12-16(23)7-8-18(17)25-31(3,29)30/h2*6-7,11-12,14,17,21,29H,3-5,8-10,13,26H2,1-2H3;8-9,11-14,22,25H,5-7,10H2,1-4H3;6-9,13-14,19,26H,2-5,10-12H2,1H3;7-8,10-13,20,25H,4-6,9H2,1-3H3/t2*17-,21-;22-;19-;20-/m00000/s1
InChIKeyAATKTEUOWFYVAV-XOEBQYMBSA-N
MW2454.70 g/mol
LogP17.61
Rot. Bonds23

About N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide

N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (PubChem CID 157055989) has the molecular formula C115H138Cl4N28O15S5 and a molecular weight of 2454.70 g/mol. Its IUPAC name is N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
PubChem CID157055989
Molecular FormulaC115H138Cl4N28O15S5
Molecular Weight2454.70 g/mol
Exact Mass2450.83
IUPAC NameN-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cn2nc(N3CCC3)ccc2n1.Cc1cc(C)n2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nc2c1.Cc1cc(N2CC[C@H](N)C2)nn2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nc12.Cc1cc2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cn2nc1N1CC[C@H](N)C1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3cc(C)cc(C)n3n2)c1
InChIInChI=1S/2C24H30ClN7O3S.C23H28N4O3S.C22H25ClN6O3S.C22H25ClN4O3S/c1-15-11-22(30-10-8-17(26)13-30)28-32-14-20(27-23(15)32)21-5-3-4-9-31(21)24(33)18-12-16(25)6-7-19(18)29-36(2,34)35;1-15-11-22-27-20(14-32(22)28-23(15)30-10-8-17(26)13-30)21-5-3-4-9-31(21)24(33)18-12-16(25)6-7-19(18)29-36(2,34)35;1-15-8-9-20(25-31(4,29)30)19(13-15)23(28)26-10-6-5-7-22(26)21-14-18-12-16(2)11-17(3)27(18)24-21;1-33(31,32)26-17-7-6-15(23)13-16(17)22(30)28-12-3-2-5-19(28)18-14-29-20(24-18)8-9-21(25-29)27-10-4-11-27;1-14-10-15(2)27-13-19(24-21(27)11-14)20-6-4-5-9-26(20)22(28)17-12-16(23)7-8-18(17)25-31(3,29)30/h2*6-7,11-12,14,17,21,29H,3-5,8-10,13,26H2,1-2H3;8-9,11-14,22,25H,5-7,10H2,1-4H3;6-9,13-14,19,26H,2-5,10-12H2,1H3;7-8,10-13,20,25H,4-6,9H2,1-3H3/t2*17-,21-;22-;19-;20-/m00000/s1
InChIKeyAATKTEUOWFYVAV-XOEBQYMBSA-N
XLogP17.61
TPSA519.33 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002454.70
LogP ≤ 517.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4,5-dimethylphenyl]methanesulfonamide;N-[2-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;[(2S)-2-[4-(3-hydroxyazetidin-1-yl)-2-(3-methylazetidin-1-yl)pyrrolo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 157184726
2-[(2S)-1-[5-chloro-2-(dimethylsulfamoylamino)benzoyl]piperidin-2-yl]-6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]benzamide;N-[4-chloro-2-[(2S)-2-[7-methyl-5-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2,2,2-trifluoroethyl N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]carbamate
CID 157841352
N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 157934707
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,5-dimethylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,5-dimethylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 158053679
N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-(3-methylazetidin-1-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;[(2S)-2-[7-(3-hydroxyazetidin-1-yl)-5-(3-methylazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 158210278
N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;N-[4-chloro-2-[(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;2,2,2-trifluoroacetaldehyde
CID 158270409
N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(diazinan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4R)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2R,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 158330540
N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 158483641
N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;(3,5-dimethylphenyl)-[(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-methylphenyl)methanone
CID 158539601
N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;(3,5-dimethylphenyl)-[(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-methylphenyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 158579124
N-[4-amino-2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-(3,3-difluoropyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-[(3R)-3-ethynylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 158605673
N-[4-amino-2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-(3,3-difluoropyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-[(3R)-3-ethynylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-[5-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 158763235

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide (CID 157055989) is N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cn2nc(N3CCC3)ccc2n1.Cc1cc(C)n2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nc2c1.Cc1cc(N2CC[C@H](N)C2)nn2cc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)nc12.Cc1cc2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cn2nc1N1CC[C@H](N)C1.Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3cc(C)cc(C)n3n2)c1.
What is the InChIKey of N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
The InChIKey is AATKTEUOWFYVAV-XOEBQYMBSA-N. The full InChI is InChI=1S/2C24H30ClN7O3S.C23H28N4O3S.C22H25ClN6O3S.C22H25ClN4O3S/c1-15-11-22(30-10-8-17(26)13-30)28-32-14-20(27-23(15)32)21-5-3-4-9-31(21)24(33)18-12-16(25)6-7-19(18)29-36(2,34)35;1-15-11-22-27-20(14-32(22)28-23(15)30-10-8-17(26)13-30)21-5-3-4-9-31(21)24(33)18-12-16(25)6-7-19(18)29-36(2,34)35;1-15-8-9-20(25-31(4,29)30)19(13-15)23(28)26-10-6-5-7-22(26)21-14-18-12-16(2)11-17(3)27(18)24-21;1-33(31,32)26-17-7-6-15(23)13-16(17)22(30)28-12-3-2-5-19(28)18-14-29-20(24-18)8-9-21(25-29)27-10-4-11-27;1-14-10-15(2)27-13-19(24-21(27)11-14)20-6-4-5-9-26(20)22(28)17-12-16(23)7-8-18(17)25-31(3,29)30/h2*6-7,11-12,14,17,21,29H,3-5,8-10,13,26H2,1-2H3;8-9,11-14,22,25H,5-7,10H2,1-4H3;6-9,13-14,19,26H,2-5,10-12H2,1H3;7-8,10-13,20,25H,4-6,9H2,1-3H3/t2*17-,21-;22-;19-;20-/m00000/s1.
What are the key properties of N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide?
N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide has a molecular weight of 2454.70 g/mol, XLogP of 17.61, 23 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-7-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]-8-methylimidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[6-(azetidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide is sourced from PubChem (CID 157055989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).