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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C161H183F3N56O8 — CID 159129789

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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(F)F)c2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CCF)c2)n1.CC(C)Cc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)Cc1cnc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)Cc1cnc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(CC(C)(C)CO)cn2)n1.CCc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1
InChIInChI=1S/C25H30N8O2.3C24H28N8O.C22H24N8O.C21H22F2N8O.C21H23FN8O/c1-15(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;3*1-14(2)8-18-12-28-20(13-26-18)21-31-22(32-33-21)24(5,15(3)4)17-6-7-19(27-11-17)16-9-29-23(25)30-10-16;1-5-16-11-26-18(12-24-16)19-29-20(30-31-19)22(4,13(2)3)15-6-7-17(25-10-15)14-8-27-21(23)28-9-14;1-12(2)21(3,15-4-5-16(25-9-15)13-6-26-20(24)27-7-13)19-29-18(32-30-19)14-8-28-31(10-14)11-17(22)23;1-13(2)21(3,16-4-5-17(24-11-16)14-8-25-20(23)26-9-14)19-28-18(31-29-19)15-10-27-30(12-15)7-6-22/h6-7,9-13,15,34H,8,14H2,1-5H3,(H2,26,30,31);3*6-7,9-15H,8H2,1-5H3,(H2,25,29,30);6-13H,5H2,1-4H3,(H2,23,27,28);4-10,12,17H,11H2,1-3H3,(H2,24,26,27);4-5,8-13H,6-7H2,1-3H3,(H2,23,25,26)/t25-;2*24-;;;;/m110..../s1
InChIKeyKGSWGWHHAVTKTD-KHIJUPSNSA-N
MW3087.61 g/mol
LogP26.23
Rot. Bonds49

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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 159129789) has the molecular formula C161H183F3N56O8 and a molecular weight of 3087.61 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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID159129789
Molecular FormulaC161H183F3N56O8
Molecular Weight3087.61 g/mol
Exact Mass3085.56
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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(F)F)c2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CCF)c2)n1.CC(C)Cc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)Cc1cnc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)Cc1cnc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(CC(C)(C)CO)cn2)n1.CCc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1
InChIInChI=1S/C25H30N8O2.3C24H28N8O.C22H24N8O.C21H22F2N8O.C21H23FN8O/c1-15(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;3*1-14(2)8-18-12-28-20(13-26-18)21-31-22(32-33-21)24(5,15(3)4)17-6-7-19(27-11-17)16-9-29-23(25)30-10-16;1-5-16-11-26-18(12-24-16)19-29-20(30-31-19)22(4,13(2)3)15-6-7-17(25-10-15)14-8-27-21(23)28-9-14;1-12(2)21(3,15-4-5-16(25-9-15)13-6-26-20(24)27-7-13)19-29-18(32-30-19)14-8-28-31(10-14)11-17(22)23;1-13(2)21(3,16-4-5-17(24-11-16)14-8-25-20(23)26-9-14)19-28-18(31-29-19)15-10-27-30(12-15)7-6-22/h6-7,9-13,15,34H,8,14H2,1-5H3,(H2,26,30,31);3*6-7,9-15H,8H2,1-5H3,(H2,25,29,30);6-13H,5H2,1-4H3,(H2,23,27,28);4-10,12,17H,11H2,1-3H3,(H2,24,26,27);4-5,8-13H,6-7H2,1-3H3,(H2,23,25,26)/t25-;2*24-;;;;/m110..../s1
InChIKeyKGSWGWHHAVTKTD-KHIJUPSNSA-N
XLogP26.23
TPSA910.04 Ų
H-Bond Donors8
H-Bond Acceptors64
Rotatable Bonds49
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003087.61
LogP ≤ 526.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1064

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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[5-[(2R)-2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952456
5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 148761697
5-[5-[(2R)-3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952953
5-[5-[(2S)-3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952958
2-[4-[3-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 66828508
2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 157345986
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-(2-methoxyethyl)acetamide
CID 56952765
5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952664
(2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol
CID 56953240
5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
CID 56953335
2-[4-[3-[3-methyl-2-[6-(2-prop-1-en-2-ylpyrimidin-5-yl)-3-pyridinyl]butan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(oxan-4-ylamino)ethanol
CID 123699136
1-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;1-[4-[3-[(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[(2R)-3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
CID 159100257

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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 159129789) 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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.
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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(F)F)c2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CCF)c2)n1.CC(C)Cc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)Cc1cnc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)Cc1cnc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(CC(C)(C)CO)cn2)n1.CCc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.
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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is KGSWGWHHAVTKTD-KHIJUPSNSA-N. The full InChI is InChI=1S/C25H30N8O2.3C24H28N8O.C22H24N8O.C21H22F2N8O.C21H23FN8O/c1-15(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;3*1-14(2)8-18-12-28-20(13-26-18)21-31-22(32-33-21)24(5,15(3)4)17-6-7-19(27-11-17)16-9-29-23(25)30-10-16;1-5-16-11-26-18(12-24-16)19-29-20(30-31-19)22(4,13(2)3)15-6-7-17(25-10-15)14-8-27-21(23)28-9-14;1-12(2)21(3,15-4-5-16(25-9-15)13-6-26-20(24)27-7-13)19-29-18(32-30-19)14-8-28-31(10-14)11-17(22)23;1-13(2)21(3,16-4-5-17(24-11-16)14-8-25-20(23)26-9-14)19-28-18(31-29-19)15-10-27-30(12-15)7-6-22/h6-7,9-13,15,34H,8,14H2,1-5H3,(H2,26,30,31);3*6-7,9-15H,8H2,1-5H3,(H2,25,29,30);6-13H,5H2,1-4H3,(H2,23,27,28);4-10,12,17H,11H2,1-3H3,(H2,24,26,27);4-5,8-13H,6-7H2,1-3H3,(H2,23,25,26)/t25-;2*24-;;;;/m110..../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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 3087.61 g/mol, XLogP of 26.23, 49 rotatable bonds, 8 hydrogen bond donors, and 64 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;5-[5-[2-[5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(5-ethylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 159129789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).