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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C163H182N54O14 — CID 160906713

IUPAC1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-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(-c2ccc(CCCO)nc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2ccccc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cn[nH]c2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(=O)N3CCOCC3)c2)n1.COC1CCN(C(=O)Cn2cc(-c3nc([C@@](C)(c4ccc(-c5cnc(N)nc5)nc4)C(C)C)no3)cn2)C1.COCCCC(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.Cc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1
InChIInChI=1S/C26H31N9O3.C25H29N9O3.C25H30N8O3.C24H27N7O2.C22H23N7O.C22H22N6O.C19H20N8O/c1-16(2)26(3,19-5-6-21(28-12-19)17-9-29-25(27)30-10-17)24-32-23(38-33-24)18-11-31-35(13-18)15-22(36)34-8-7-20(14-34)37-4;1-16(2)25(3,19-4-5-20(27-13-19)17-10-28-24(26)29-11-17)23-31-22(37-32-23)18-12-30-34(14-18)15-21(35)33-6-8-36-9-7-33;1-16(2)25(3,19-7-8-21(27-13-19)17-10-28-24(26)29-11-17)23-31-22(36-32-23)18-12-30-33(14-18)15-20(34)6-5-9-35-4;1-15(2)24(3,18-7-9-20(27-14-18)17-12-28-23(25)29-13-17)22-30-21(33-31-22)16-6-8-19(26-11-16)5-4-10-32;1-13(2)22(4,20-28-19(30-29-20)15-6-5-14(3)24-9-15)17-7-8-18(25-12-17)16-10-26-21(23)27-11-16;1-14(2)22(3,20-27-19(29-28-20)15-7-5-4-6-8-15)17-9-10-18(24-13-17)16-11-25-21(23)26-12-16;1-11(2)19(3,17-26-16(28-27-17)13-8-24-25-9-13)14-4-5-15(21-10-14)12-6-22-18(20)23-7-12/h5-6,9-13,16,20H,7-8,14-15H2,1-4H3,(H2,27,29,30);4-5,10-14,16H,6-9,15H2,1-3H3,(H2,26,28,29);7-8,10-14,16H,5-6,9,15H2,1-4H3,(H2,26,28,29);6-9,11-15,32H,4-5,10H2,1-3H3,(H2,25,28,29);5-13H,1-4H3,(H2,23,26,27);4-14H,1-3H3,(H2,23,25,26);4-11H,1-3H3,(H,24,25)(H2,20,22,23)/t20?,26-;2*25-;;;;/m111..../s1
InChIKeySQFXHPLSBGRURO-JNYIOOKFSA-N
MW3121.61 g/mol
LogP22.37
Rot. Bonds49

About 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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 160906713) has the molecular formula C163H182N54O14 and a molecular weight of 3121.61 g/mol. Its IUPAC name is 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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID160906713
Molecular FormulaC163H182N54O14
Molecular Weight3121.61 g/mol
Exact Mass3119.52
IUPAC Name1-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-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(-c2ccc(CCCO)nc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2ccccc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cn[nH]c2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(=O)N3CCOCC3)c2)n1.COC1CCN(C(=O)Cn2cc(-c3nc([C@@](C)(c4ccc(-c5cnc(N)nc5)nc4)C(C)C)no3)cn2)C1.COCCCC(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.Cc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1
InChIInChI=1S/C26H31N9O3.C25H29N9O3.C25H30N8O3.C24H27N7O2.C22H23N7O.C22H22N6O.C19H20N8O/c1-16(2)26(3,19-5-6-21(28-12-19)17-9-29-25(27)30-10-17)24-32-23(38-33-24)18-11-31-35(13-18)15-22(36)34-8-7-20(14-34)37-4;1-16(2)25(3,19-4-5-20(27-13-19)17-10-28-24(26)29-11-17)23-31-22(37-32-23)18-12-30-34(14-18)15-21(35)33-6-8-36-9-7-33;1-16(2)25(3,19-7-8-21(27-13-19)17-10-28-24(26)29-11-17)23-31-22(36-32-23)18-12-30-33(14-18)15-20(34)6-5-9-35-4;1-15(2)24(3,18-7-9-20(27-14-18)17-12-28-23(25)29-13-17)22-30-21(33-31-22)16-6-8-19(26-11-16)5-4-10-32;1-13(2)22(4,20-28-19(30-29-20)15-6-5-14(3)24-9-15)17-7-8-18(25-12-17)16-10-26-21(23)27-11-16;1-14(2)22(3,20-27-19(29-28-20)15-7-5-4-6-8-15)17-9-10-18(24-13-17)16-11-25-21(23)26-12-16;1-11(2)19(3,17-26-16(28-27-17)13-8-24-25-9-13)14-4-5-15(21-10-14)12-6-22-18(20)23-7-12/h5-6,9-13,16,20H,7-8,14-15H2,1-4H3,(H2,27,29,30);4-5,10-14,16H,6-9,15H2,1-3H3,(H2,26,28,29);7-8,10-14,16H,5-6,9,15H2,1-4H3,(H2,26,28,29);6-9,11-15,32H,4-5,10H2,1-3H3,(H2,25,28,29);5-13H,1-4H3,(H2,23,26,27);4-14H,1-3H3,(H2,23,25,26);4-11H,1-3H3,(H,24,25)(H2,20,22,23)/t20?,26-;2*25-;;;;/m111..../s1
InChIKeySQFXHPLSBGRURO-JNYIOOKFSA-N
XLogP22.37
TPSA938.80 Ų
H-Bond Donors9
H-Bond Acceptors65
Rotatable Bonds49
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003121.61
LogP ≤ 522.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 160906713) is 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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-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(-c2ccc(CCCO)nc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2ccccc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cn[nH]c2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(=O)N3CCOCC3)c2)n1.COC1CCN(C(=O)Cn2cc(-c3nc([C@@](C)(c4ccc(-c5cnc(N)nc5)nc4)C(C)C)no3)cn2)C1.COCCCC(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.Cc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.
What is the InChIKey of 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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is SQFXHPLSBGRURO-JNYIOOKFSA-N. The full InChI is InChI=1S/C26H31N9O3.C25H29N9O3.C25H30N8O3.C24H27N7O2.C22H23N7O.C22H22N6O.C19H20N8O/c1-16(2)26(3,19-5-6-21(28-12-19)17-9-29-25(27)30-10-17)24-32-23(38-33-24)18-11-31-35(13-18)15-22(36)34-8-7-20(14-34)37-4;1-16(2)25(3,19-4-5-20(27-13-19)17-10-28-24(26)29-11-17)23-31-22(37-32-23)18-12-30-34(14-18)15-21(35)33-6-8-36-9-7-33;1-16(2)25(3,19-7-8-21(27-13-19)17-10-28-24(26)29-11-17)23-31-22(36-32-23)18-12-30-33(14-18)15-20(34)6-5-9-35-4;1-15(2)24(3,18-7-9-20(27-14-18)17-12-28-23(25)29-13-17)22-30-21(33-31-22)16-6-8-19(26-11-16)5-4-10-32;1-13(2)22(4,20-28-19(30-29-20)15-6-5-14(3)24-9-15)17-7-8-18(25-12-17)16-10-26-21(23)27-11-16;1-14(2)22(3,20-27-19(29-28-20)15-7-5-4-6-8-15)17-9-10-18(24-13-17)16-11-25-21(23)26-12-16;1-11(2)19(3,17-26-16(28-27-17)13-8-24-25-9-13)14-4-5-15(21-10-14)12-6-22-18(20)23-7-12/h5-6,9-13,16,20H,7-8,14-15H2,1-4H3,(H2,27,29,30);4-5,10-14,16H,6-9,15H2,1-3H3,(H2,26,28,29);7-8,10-14,16H,5-6,9,15H2,1-4H3,(H2,26,28,29);6-9,11-15,32H,4-5,10H2,1-3H3,(H2,25,28,29);5-13H,1-4H3,(H2,23,26,27);4-14H,1-3H3,(H2,23,25,26);4-11H,1-3H3,(H,24,25)(H2,20,22,23)/t20?,26-;2*25-;;;;/m111..../s1.
What are the key properties of 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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 3121.61 g/mol, XLogP of 22.37, 49 rotatable bonds, 9 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-5-methoxypentan-2-one;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]-1-(3-methoxypyrrolidin-1-yl)ethanone;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]-1-morpholin-4-ylethanone;3-[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]propan-1-ol;5-[5-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 160906713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).