5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C76H89N25O8S — CID 158847084

IUPAC5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESC[C@@H]1[C@H](CC(=O)c2ccc(-c3ncco3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](CC(=O)c2noc(C(C)(C)C)n2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.Cc1ncc(-c2ccc(C(=O)C[C@@H]3CCCN(c4cnc(C(N)=O)c(Nc5cnn(C)c5)n4)[C@@H]3C)cc2)s1
InChIInChI=1S/C27H30N8O2S.C26H28N8O3.C23H31N9O3/c1-16-20(11-22(36)18-6-8-19(9-7-18)23-13-29-17(2)38-23)5-4-10-35(16)24-14-30-25(26(28)37)27(33-24)32-21-12-31-34(3)15-21;1-16-19(12-21(35)17-5-7-18(8-6-17)26-28-9-11-37-26)4-3-10-34(16)22-14-29-23(24(27)36)25(32-22)31-20-13-30-33(2)15-20;1-13-14(9-16(33)20-29-22(35-30-20)23(2,3)4)7-6-8-32(13)17-11-25-18(19(24)34)21(28-17)27-15-10-26-31(5)12-15/h6-9,12-16,20H,4-5,10-11H2,1-3H3,(H2,28,37)(H,32,33);5-9,11,13-16,19H,3-4,10,12H2,1-2H3,(H2,27,36)(H,31,32);10-14H,6-9H2,1-5H3,(H2,24,34)(H,27,28)/t16-,20+;16-,19+;13-,14+/m111/s1
InChIKeyIYYWPBDERVKABZ-KYEWYFTNSA-N
MW1512.78 g/mol
LogP10.56
Rot. Bonds23

About 5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 158847084) has the molecular formula C76H89N25O8S and a molecular weight of 1512.78 g/mol. Its IUPAC name is 5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID158847084
Molecular FormulaC76H89N25O8S
Molecular Weight1512.78 g/mol
Exact Mass1511.70
IUPAC Name5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESC[C@@H]1[C@H](CC(=O)c2ccc(-c3ncco3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](CC(=O)c2noc(C(C)(C)C)n2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.Cc1ncc(-c2ccc(C(=O)C[C@@H]3CCCN(c4cnc(C(N)=O)c(Nc5cnn(C)c5)n4)[C@@H]3C)cc2)s1
InChIInChI=1S/C27H30N8O2S.C26H28N8O3.C23H31N9O3/c1-16-20(11-22(36)18-6-8-19(9-7-18)23-13-29-17(2)38-23)5-4-10-35(16)24-14-30-25(26(28)37)27(33-24)32-21-12-31-34(3)15-21;1-16-19(12-21(35)17-5-7-18(8-6-17)26-28-9-11-37-26)4-3-10-34(16)22-14-29-23(24(27)36)25(32-22)31-20-13-30-33(2)15-20;1-13-14(9-16(33)20-29-22(35-30-20)23(2,3)4)7-6-8-32(13)17-11-25-18(19(24)34)21(28-17)27-15-10-26-31(5)12-15/h6-9,12-16,20H,4-5,10-11H2,1-3H3,(H2,28,37)(H,32,33);5-9,11,13-16,19H,3-4,10,12H2,1-2H3,(H2,27,36)(H,31,32);10-14H,6-9H2,1-5H3,(H2,24,34)(H,27,28)/t16-,20+;16-,19+;13-,14+/m111/s1
InChIKeyIYYWPBDERVKABZ-KYEWYFTNSA-N
XLogP10.56
TPSA434.93 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001512.78
LogP ≤ 510.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

cumene;2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)pyridine;1-ethyl-4-propan-2-ylbenzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-5-propan-2-ylpyridine);4-propan-2-ylbenzoic acid;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157756317
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole
CID 158886857
8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(1,2-oxazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 159084449
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;5-tert-butyl-1,3-oxazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine
CID 160376362
CID 167583771
CID 167583771
CID 167627776
CID 167627776
6-(4-Propan-2-ylimidazol-1-yl)pyridin-2-amine;6-(2-propan-2-yl-1,3-oxazol-5-yl)pyridin-2-amine;2-(5-propan-2-ylpyrazin-2-yl)-1,3-thiazol-4-amine;5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine;3-(5-propan-2-yl-2-pyridinyl)-1,2-oxazol-5-amine;3-(5-propan-2-yl-2-pyridinyl)pyridin-2-amine;2-(2-propan-2-ylpyrimidin-5-yl)-1,3-thiazol-4-amine;6-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridin-2-amine;2-(5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 157056431
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-methyl-1H-pyrazole;2-methylpyrazolo[1,5-a]pyridine
CID 157085631
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
CID 157140927
CID 157140927
2,5-dimethylfuran;1,4-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,5-dimethyl-1H-pyrazole;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3-fluoro-2,5-dimethylpyridine;methane;3,4,5-trimethyl-1,2-oxazole;2,3,5-trimethylpyridine;2,4,5-trimethyl-1,3-thiazole
CID 157150556

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 158847084) is 5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is C[C@@H]1[C@H](CC(=O)c2ccc(-c3ncco3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](CC(=O)c2noc(C(C)(C)C)n2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.Cc1ncc(-c2ccc(C(=O)C[C@@H]3CCCN(c4cnc(C(N)=O)c(Nc5cnn(C)c5)n4)[C@@H]3C)cc2)s1.
What is the InChIKey of 5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is IYYWPBDERVKABZ-KYEWYFTNSA-N. The full InChI is InChI=1S/C27H30N8O2S.C26H28N8O3.C23H31N9O3/c1-16-20(11-22(36)18-6-8-19(9-7-18)23-13-29-17(2)38-23)5-4-10-35(16)24-14-30-25(26(28)37)27(33-24)32-21-12-31-34(3)15-21;1-16-19(12-21(35)17-5-7-18(8-6-17)26-28-9-11-37-26)4-3-10-34(16)22-14-29-23(24(27)36)25(32-22)31-20-13-30-33(2)15-20;1-13-14(9-16(33)20-29-22(35-30-20)23(2,3)4)7-6-8-32(13)17-11-25-18(19(24)34)21(28-17)27-15-10-26-31(5)12-15/h6-9,12-16,20H,4-5,10-11H2,1-3H3,(H2,28,37)(H,32,33);5-9,11,13-16,19H,3-4,10,12H2,1-2H3,(H2,27,36)(H,31,32);10-14H,6-9H2,1-5H3,(H2,24,34)(H,27,28)/t16-,20+;16-,19+;13-,14+/m111/s1.
What are the key properties of 5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 1512.78 g/mol, XLogP of 10.56, 23 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3S)-3-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-2-methyl-3-[2-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoethyl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 158847084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).