[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane

C137H177ClN40O14S3 — CID 162271575

IUPAC[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane
SMILESC.CCOc1ccccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.CCc1ocnc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(CN3CCOCC3)n2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cncs3)cc2nc1N1CC[C@H](N)C1.Cc1cnc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)[nH]1.Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)[nH]n2c(=O)c1C
InChIInChI=1S/C27H34ClN7O4S.C25H32N6O2.C22H29N7O2.C21H28N8O.C21H25N5O4S.C20H25N7OS.CH4/c1-40(37,38)31-22-7-6-19(28)15-21(22)27(36)34-10-3-2-5-24(34)23-17-26-29-25(33-8-4-9-33)16-20(35(26)30-23)18-32-11-13-39-14-12-32;1-3-33-22-10-5-4-8-19(22)25(32)30-12-7-6-9-21(30)20-14-23-27-24(17(2)15-31(23)28-20)29-13-11-18(26)16-29;1-3-18-20(24-13-31-18)22(30)28-8-5-4-6-17(28)16-10-19-25-21(14(2)11-29(19)26-16)27-9-7-15(23)12-27;1-13-11-29-18(25-20(13)27-8-6-15(22)12-27)9-16(26-29)17-5-3-4-7-28(17)21(30)19-23-10-14(2)24-19;1-13-14(2)22-19-12-17(23-26(19)20(13)27)18-10-6-7-11-25(18)21(28)15-8-4-5-9-16(15)24-31(3,29)30;1-13-10-27-18(23-19(13)25-7-5-14(21)11-25)8-15(24-27)16-4-2-3-6-26(16)20(28)17-9-22-12-29-17;/h6-7,15-17,24,31H,2-5,8-14,18H2,1H3;4-5,8,10,14-15,18,21H,3,6-7,9,11-13,16,26H2,1-2H3;10-11,13,15,17H,3-9,12,23H2,1-2H3;9-11,15,17H,3-8,12,22H2,1-2H3,(H,23,24);4-5,8-9,12,18,23-24H,6-7,10-11H2,1-3H3;8-10,12,14,16H,2-7,11,21H2,1H3;1H4/t24-;18-,21-;2*15-,17-;18-;14-,16-;/m000000./s1
InChIKeyFEWNPAQYQWVGJI-MJYNDJNASA-N
MW2739.84 g/mol
LogP16.39
Rot. Bonds26

About [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane (PubChem CID 162271575) has the molecular formula C137H177ClN40O14S3 and a molecular weight of 2739.84 g/mol. Its IUPAC name is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane.

Molecular Properties

Compound Name[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane
PubChem CID162271575
Molecular FormulaC137H177ClN40O14S3
Molecular Weight2739.84 g/mol
Exact Mass2737.32
IUPAC Name[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane
SMILESC.CCOc1ccccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.CCc1ocnc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(CN3CCOCC3)n2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cncs3)cc2nc1N1CC[C@H](N)C1.Cc1cnc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)[nH]1.Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)[nH]n2c(=O)c1C
InChIInChI=1S/C27H34ClN7O4S.C25H32N6O2.C22H29N7O2.C21H28N8O.C21H25N5O4S.C20H25N7OS.CH4/c1-40(37,38)31-22-7-6-19(28)15-21(22)27(36)34-10-3-2-5-24(34)23-17-26-29-25(33-8-4-9-33)16-20(35(26)30-23)18-32-11-13-39-14-12-32;1-3-33-22-10-5-4-8-19(22)25(32)30-12-7-6-9-21(30)20-14-23-27-24(17(2)15-31(23)28-20)29-13-11-18(26)16-29;1-3-18-20(24-13-31-18)22(30)28-8-5-4-6-17(28)16-10-19-25-21(14(2)11-29(19)26-16)27-9-7-15(23)12-27;1-13-11-29-18(25-20(13)27-8-6-15(22)12-27)9-16(26-29)17-5-3-4-7-28(17)21(30)19-23-10-14(2)24-19;1-13-14(2)22-19-12-17(23-26(19)20(13)27)18-10-6-7-11-25(18)21(28)15-8-4-5-9-16(15)24-31(3,29)30;1-13-10-27-18(23-19(13)25-7-5-14(21)11-25)8-15(24-27)16-4-2-3-6-26(16)20(28)17-9-22-12-29-17;/h6-7,15-17,24,31H,2-5,8-14,18H2,1H3;4-5,8,10,14-15,18,21H,3,6-7,9,11-13,16,26H2,1-2H3;10-11,13,15,17H,3-9,12,23H2,1-2H3;9-11,15,17H,3-8,12,22H2,1-2H3,(H,23,24);4-5,8-9,12,18,23-24H,6-7,10-11H2,1-3H3;8-10,12,14,16H,2-7,11,21H2,1H3;1H4/t24-;18-,21-;2*15-,17-;18-;14-,16-;/m000000./s1
InChIKeyFEWNPAQYQWVGJI-MJYNDJNASA-N
XLogP16.39
TPSA624.89 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds26
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002739.84
LogP ≤ 516.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Analyze [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane with MolForge

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Related Compounds

CID 157090186
CID 157090186
1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 157143746
CID 157488093
CID 157488093
1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 158883670
N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]furo[3,2-b]pyridine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-[1,2]thiazolo[4,3-b]pyridine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide;ethane
CID 159109138
1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole
CID 159134033
2-chloro-4-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-phenyl-5-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 159762266
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-phenyl-5-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole
CID 159997005
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;(4-ethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 160241915
3-chloro-2-(2,2-dimethylpropyl)pyridine;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)cyclopenta-1,3-diene;2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;4-(2,2-dimethylpropyl)-2H-imidazole;4-(2,2-dimethylpropyl)-2-methyl-5H-1,3-oxazol-5-ide;5-(2,2-dimethylpropyl)-4-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazole;3-(2,2-dimethylpropyl)-4H-pyrazole;2-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-pyrrole;4-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-5-tritio-2,3-dihydropyrrol-3-ide;methane;uranium;yttrium
CID 160913460
N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]furo[3,2-b]pyridine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-8-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-[1,2]thiazolo[4,3-b]pyridine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide;ethane
CID 161067125
1-(4-chlorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 161718865

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane?
The IUPAC name of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane (CID 162271575) is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane.
What is the SMILES notation for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane?
The canonical SMILES for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane is C.CCOc1ccccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.CCc1ocnc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CCC3)cc(CN3CCOCC3)n2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cncs3)cc2nc1N1CC[C@H](N)C1.Cc1cnc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)[nH]1.Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)[nH]n2c(=O)c1C.
What is the InChIKey of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane?
The InChIKey is FEWNPAQYQWVGJI-MJYNDJNASA-N. The full InChI is InChI=1S/C27H34ClN7O4S.C25H32N6O2.C22H29N7O2.C21H28N8O.C21H25N5O4S.C20H25N7OS.CH4/c1-40(37,38)31-22-7-6-19(28)15-21(22)27(36)34-10-3-2-5-24(34)23-17-26-29-25(33-8-4-9-33)16-20(35(26)30-23)18-32-11-13-39-14-12-32;1-3-33-22-10-5-4-8-19(22)25(32)30-12-7-6-9-21(30)20-14-23-27-24(17(2)15-31(23)28-20)29-13-11-18(26)16-29;1-3-18-20(24-13-31-18)22(30)28-8-5-4-6-17(28)16-10-19-25-21(14(2)11-29(19)26-16)27-9-7-15(23)12-27;1-13-11-29-18(25-20(13)27-8-6-15(22)12-27)9-16(26-29)17-5-3-4-7-28(17)21(30)19-23-10-14(2)24-19;1-13-14(2)22-19-12-17(23-26(19)20(13)27)18-10-6-7-11-25(18)21(28)15-8-4-5-9-16(15)24-31(3,29)30;1-13-10-27-18(23-19(13)25-7-5-14(21)11-25)8-15(24-27)16-4-2-3-6-26(16)20(28)17-9-22-12-29-17;/h6-7,15-17,24,31H,2-5,8-14,18H2,1H3;4-5,8,10,14-15,18,21H,3,6-7,9,11-13,16,26H2,1-2H3;10-11,13,15,17H,3-9,12,23H2,1-2H3;9-11,15,17H,3-8,12,22H2,1-2H3,(H,23,24);4-5,8-9,12,18,23-24H,6-7,10-11H2,1-3H3;8-10,12,14,16H,2-7,11,21H2,1H3;1H4/t24-;18-,21-;2*15-,17-;18-;14-,16-;/m000000./s1.
What are the key properties of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane?
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane has a molecular weight of 2739.84 g/mol, XLogP of 16.39, 26 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone;N-[2-[(2S)-2-[5-(azetidin-1-yl)-7-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;methane is sourced from PubChem (CID 162271575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).