2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C141H145N47O12 — CID 160684786

IUPAC2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCC(C)(CO)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CC(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.N#CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCOCC6)cn5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)N6CCC(O)C6)c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)NC6CCNCC6)c5)n4)CCC3)cc2)cn1
InChIInChI=1S/C26H29N9O2.C25H26N8O3.C24H24N8O2.C23H25N7O2.C22H23N7O2.C21H18N8O/c27-25-29-12-18(13-30-25)17-2-4-20(5-3-17)26(8-1-9-26)24-33-23(37-34-24)19-14-31-35(15-19)16-22(36)32-21-6-10-28-11-7-21;26-24-27-10-17(11-28-24)16-2-4-19(5-3-16)25(7-1-8-25)23-30-22(36-31-23)18-12-29-33(13-18)15-21(35)32-9-6-20(34)14-32;25-23-28-12-17(13-29-23)16-2-4-18(5-3-16)24(6-1-7-24)22-30-21(34-31-22)19-14-27-20(15-26-19)32-8-10-33-11-9-32;1-22(2,14-31)30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16;1-14(30)12-29-13-17(11-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-9-24-21(23)25-10-16;22-8-9-29-13-16(12-26-29)18-27-19(28-30-18)21(6-1-7-21)17-4-2-14(3-5-17)15-10-24-20(23)25-11-15/h2-5,12-15,21,28H,1,6-11,16H2,(H,32,36)(H2,27,29,30);2-5,10-13,20,34H,1,6-9,14-15H2,(H2,26,27,28);2-5,12-15H,1,6-11H2,(H2,25,28,29);4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26);3-6,9-11,13-14,30H,2,7-8,12H2,1H3,(H2,23,24,25);2-5,10-13H,1,6-7,9H2,(H2,23,24,25)
InChIKeyROPQWQDJTDAMRO-UHFFFAOYSA-N
MW2690.03 g/mol
LogP16.18
Rot. Bonds35

About 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 160684786) has the molecular formula C141H145N47O12 and a molecular weight of 2690.03 g/mol. Its IUPAC name is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
PubChem CID160684786
Molecular FormulaC141H145N47O12
Molecular Weight2690.03 g/mol
Exact Mass2688.22
IUPAC Name2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCC(C)(CO)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CC(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.N#CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCOCC6)cn5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)N6CCC(O)C6)c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)NC6CCNCC6)c5)n4)CCC3)cc2)cn1
InChIInChI=1S/C26H29N9O2.C25H26N8O3.C24H24N8O2.C23H25N7O2.C22H23N7O2.C21H18N8O/c27-25-29-12-18(13-30-25)17-2-4-20(5-3-17)26(8-1-9-26)24-33-23(37-34-24)19-14-31-35(15-19)16-22(36)32-21-6-10-28-11-7-21;26-24-27-10-17(11-28-24)16-2-4-19(5-3-16)25(7-1-8-25)23-30-22(36-31-23)18-12-29-33(13-18)15-21(35)32-9-6-20(34)14-32;25-23-28-12-17(13-29-23)16-2-4-18(5-3-16)24(6-1-7-24)22-30-21(34-31-22)19-14-27-20(15-26-19)32-8-10-33-11-9-32;1-22(2,14-31)30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16;1-14(30)12-29-13-17(11-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-9-24-21(23)25-10-16;22-8-9-29-13-16(12-26-29)18-27-19(28-30-18)21(6-1-7-21)17-4-2-14(3-5-17)15-10-24-20(23)25-11-15/h2-5,12-15,21,28H,1,6-11,16H2,(H,32,36)(H2,27,29,30);2-5,10-13,20,34H,1,6-9,14-15H2,(H2,26,27,28);2-5,12-15H,1,6-11H2,(H2,25,28,29);4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26);3-6,9-11,13-14,30H,2,7-8,12H2,1H3,(H2,23,24,25);2-5,10-13H,1,6-7,9H2,(H2,23,24,25)
InChIKeyROPQWQDJTDAMRO-UHFFFAOYSA-N
XLogP16.18
TPSA817.59 Ų
H-Bond Donors11
H-Bond Acceptors57
Rotatable Bonds35
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002690.03
LogP ≤ 516.18
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1057

Analyze 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 160684786) is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CC(C)(CO)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CC(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.N#CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCOCC6)cn5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)N6CCC(O)C6)c5)n4)CCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)NC6CCNCC6)c5)n4)CCC3)cc2)cn1.
What is the InChIKey of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The InChIKey is ROPQWQDJTDAMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O2.C25H26N8O3.C24H24N8O2.C23H25N7O2.C22H23N7O2.C21H18N8O/c27-25-29-12-18(13-30-25)17-2-4-20(5-3-17)26(8-1-9-26)24-33-23(37-34-24)19-14-31-35(15-19)16-22(36)32-21-6-10-28-11-7-21;26-24-27-10-17(11-28-24)16-2-4-19(5-3-16)25(7-1-8-25)23-30-22(36-31-23)18-12-29-33(13-18)15-21(35)32-9-6-20(34)14-32;25-23-28-12-17(13-29-23)16-2-4-18(5-3-16)24(6-1-7-24)22-30-21(34-31-22)19-14-27-20(15-26-19)32-8-10-33-11-9-32;1-22(2,14-31)30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16;1-14(30)12-29-13-17(11-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-9-24-21(23)25-10-16;22-8-9-29-13-16(12-26-29)18-27-19(28-30-18)21(6-1-7-21)17-4-2-14(3-5-17)15-10-24-20(23)25-11-15/h2-5,12-15,21,28H,1,6-11,16H2,(H,32,36)(H2,27,29,30);2-5,10-13,20,34H,1,6-9,14-15H2,(H2,26,27,28);2-5,12-15H,1,6-11H2,(H2,25,28,29);4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26);3-6,9-11,13-14,30H,2,7-8,12H2,1H3,(H2,23,24,25);2-5,10-13H,1,6-7,9H2,(H2,23,24,25).
What are the key properties of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 2690.03 g/mol, XLogP of 16.18, 35 rotatable bonds, 11 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-piperidin-4-ylacetamide;1-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol;5-[4-[1-[5-(5-morpholin-4-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 160684786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).