3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C148H171N49O12 — CID 158086100

IUPAC3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc5[nH]ccc5n4)nc3)C3CC3)no2)cn1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(CC(C)(C)CO)cn2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(=O)CC(C)(C)C)c2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(=O)N(C)C(C)(C)C)c2)n1.CNc1cnc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(C)(C)O)c4)n3)C3CC3)cn2)cn1.C[C@@](c1ccc(-c2cnc(N)cn2)nc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CC1
InChIInChI=1S/C26H33N9O2.C26H32N8O2.C25H26N8O2.C25H30N8O2.C24H28N8O2.C22H22N8O2/c1-16(2)26(6,19-8-9-20(28-13-19)17-10-29-24(27)30-11-17)23-32-22(37-33-23)18-12-31-35(14-18)15-21(36)34(7)25(3,4)5;1-16(2)26(6,19-7-8-21(28-13-19)17-10-29-24(27)30-11-17)23-32-22(36-33-23)18-12-31-34(14-18)15-20(35)9-25(3,4)5;1-24(2,34)14-33-13-15(10-29-33)22-31-23(32-35-22)25(3,16-4-5-16)17-6-7-18(27-11-17)20-12-28-21-19(30-20)8-9-26-21;1-15(2)25(5,17-6-7-19(28-11-17)16-9-30-23(26)31-10-16)22-32-21(35-33-22)20-13-27-18(12-29-20)8-24(3,4)14-34;1-23(2,33)14-32-13-15(9-29-32)21-30-22(31-34-21)24(3,16-5-6-16)17-7-8-18(26-10-17)19-11-28-20(25-4)12-27-19;1-22(14-2-3-14,15-4-5-17(24-7-15)18-8-26-19(23)9-25-18)21-28-20(32-29-21)13-6-27-30(10-13)16-11-31-12-16/h8-14,16H,15H2,1-7H3,(H2,27,29,30);7-8,10-14,16H,9,15H2,1-6H3,(H2,27,29,30);6-13,16,34H,4-5,14H2,1-3H3,(H,26,28);6-7,9-13,15,34H,8,14H2,1-5H3,(H2,26,30,31);7-13,16,33H,5-6,14H2,1-4H3,(H,25,28);4-10,14,16H,2-3,11-12H2,1H3,(H2,23,26)/t2*26-;;25-;24-;22-/m11.111/s1
InChIKeyFNNMSKNRCLZVPG-MMOPWYOZSA-N
MW2828.33 g/mol
LogP21.13
Rot. Bonds44

About 3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol

3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 158086100) has the molecular formula C148H171N49O12 and a molecular weight of 2828.33 g/mol. Its IUPAC name is 3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID158086100
Molecular FormulaC148H171N49O12
Molecular Weight2828.33 g/mol
Exact Mass2826.43
IUPAC Name3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc5[nH]ccc5n4)nc3)C3CC3)no2)cn1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(CC(C)(C)CO)cn2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(=O)CC(C)(C)C)c2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(=O)N(C)C(C)(C)C)c2)n1.CNc1cnc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(C)(C)O)c4)n3)C3CC3)cn2)cn1.C[C@@](c1ccc(-c2cnc(N)cn2)nc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CC1
InChIInChI=1S/C26H33N9O2.C26H32N8O2.C25H26N8O2.C25H30N8O2.C24H28N8O2.C22H22N8O2/c1-16(2)26(6,19-8-9-20(28-13-19)17-10-29-24(27)30-11-17)23-32-22(37-33-23)18-12-31-35(14-18)15-21(36)34(7)25(3,4)5;1-16(2)26(6,19-7-8-21(28-13-19)17-10-29-24(27)30-11-17)23-32-22(36-33-23)18-12-31-34(14-18)15-20(35)9-25(3,4)5;1-24(2,34)14-33-13-15(10-29-33)22-31-23(32-35-22)25(3,16-4-5-16)17-6-7-18(27-11-17)20-12-28-21-19(30-20)8-9-26-21;1-15(2)25(5,17-6-7-19(28-11-17)16-9-30-23(26)31-10-16)22-32-21(35-33-22)20-13-27-18(12-29-20)8-24(3,4)14-34;1-23(2,33)14-32-13-15(9-29-32)21-30-22(31-34-21)24(3,16-5-6-16)17-7-8-18(26-10-17)19-11-28-20(25-4)12-27-19;1-22(14-2-3-14,15-4-5-17(24-7-15)18-8-26-19(23)9-25-18)21-28-20(32-29-21)13-6-27-30(10-13)16-11-31-12-16/h8-14,16H,15H2,1-7H3,(H2,27,29,30);7-8,10-14,16H,9,15H2,1-6H3,(H2,27,29,30);6-13,16,34H,4-5,14H2,1-3H3,(H,26,28);6-7,9-13,15,34H,8,14H2,1-5H3,(H2,26,30,31);7-13,16,33H,5-6,14H2,1-4H3,(H,25,28);4-10,14,16H,2-3,11-12H2,1H3,(H2,23,26)/t2*26-;;25-;24-;22-/m11.111/s1
InChIKeyFNNMSKNRCLZVPG-MMOPWYOZSA-N
XLogP21.13
TPSA819.62 Ų
H-Bond Donors9
H-Bond Acceptors59
Rotatable Bonds44
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002828.33
LogP ≤ 521.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1059

Analyze 3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 158086100) is 3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc5[nH]ccc5n4)nc3)C3CC3)no2)cn1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(CC(C)(C)CO)cn2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(=O)CC(C)(C)C)c2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(=O)N(C)C(C)(C)C)c2)n1.CNc1cnc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(C)(C)O)c4)n3)C3CC3)cn2)cn1.C[C@@](c1ccc(-c2cnc(N)cn2)nc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CC1.
What is the InChIKey of 3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is FNNMSKNRCLZVPG-MMOPWYOZSA-N. The full InChI is InChI=1S/C26H33N9O2.C26H32N8O2.C25H26N8O2.C25H30N8O2.C24H28N8O2.C22H22N8O2/c1-16(2)26(6,19-8-9-20(28-13-19)17-10-29-24(27)30-11-17)23-32-22(37-33-23)18-12-31-35(14-18)15-21(36)34(7)25(3,4)5;1-16(2)26(6,19-7-8-21(28-13-19)17-10-29-24(27)30-11-17)23-32-22(36-33-23)18-12-31-34(14-18)15-20(35)9-25(3,4)5;1-24(2,34)14-33-13-15(10-29-33)22-31-23(32-35-22)25(3,16-4-5-16)17-6-7-18(27-11-17)20-12-28-21-19(30-20)8-9-26-21;1-15(2)25(5,17-6-7-19(28-11-17)16-9-30-23(26)31-10-16)22-32-21(35-33-22)20-13-27-18(12-29-20)8-24(3,4)14-34;1-23(2,33)14-32-13-15(9-29-32)21-30-22(31-34-21)24(3,16-5-6-16)17-7-8-18(26-10-17)19-11-28-20(25-4)12-27-19;1-22(14-2-3-14,15-4-5-17(24-7-15)18-8-26-19(23)9-25-18)21-28-20(32-29-21)13-6-27-30(10-13)16-11-31-12-16/h8-14,16H,15H2,1-7H3,(H2,27,29,30);7-8,10-14,16H,9,15H2,1-6H3,(H2,27,29,30);6-13,16,34H,4-5,14H2,1-3H3,(H,26,28);6-7,9-13,15,34H,8,14H2,1-5H3,(H2,26,30,31);7-13,16,33H,5-6,14H2,1-4H3,(H,25,28);4-10,14,16H,2-3,11-12H2,1H3,(H2,23,26)/t2*26-;;25-;24-;22-/m11.111/s1.
What are the key properties of 3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 2828.33 g/mol, XLogP of 21.13, 44 rotatable bonds, 9 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-2,2-dimethylpropan-1-ol;2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide;1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-4,4-dimethylpentan-2-one;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;1-[4-[3-[1-cyclopropyl-1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 158086100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).