1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol

C226H306F3N25O12S6 — CID 167590457

About 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol

1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol (PubChem CID 167590457) has the molecular formula C226H306F3N25O12S6 and a molecular weight of 3814.49 g/mol. Its IUPAC name is 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol.

Molecular Properties

• Compound Name: 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol
• PubChem CID: 167590457
• Molecular Formula: C226H306F3N25O12S6
• Molecular Weight: 3814.49 g/mol
• Exact Mass: 3811.24
• IUPAC Name: 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol
• SMILES: CC(C)(C)NN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(C#CC5(O)CC5)cc(C(C)(C)C)c4C(C)(C)C)c3)s2)CC1.CC(C)(C)c1cc(C#CC2(O)C3CC32)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(C)(C)c1cc(C#CC2(O)CC2F)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(F)C(C)(O)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(O)(C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1)CF.CC1C2C1C2(O)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1
• InChI: InChI=1S/C39H52N4O2S.C38H53FN4O2S.C38H50N4O2S.C37H49FN4O2S.C37H51FN4O2S.C37H51N5O2S/c1-23-31-32(23)39(31,44)14-11-24-17-27(33(37(5,6)7)28(18-24)36(2,3)4)22-45-29-19-26(20-41-34(29)40)30-21-42-35(46-30)25-12-15-43(16-13-25)38(8,9)10;1-24(39)38(11,44)15-12-25-18-28(32(36(5,6)7)29(19-25)35(2,3)4)23-45-30-20-27(21-41-33(30)40)31-22-42-34(46-31)26-13-16-43(17-14-26)37(8,9)10;1-35(2,3)29-17-23(10-13-38(43)27-19-28(27)38)16-26(32(29)36(4,5)6)22-44-30-18-25(20-40-33(30)39)31-21-41-34(45-31)24-11-14-42(15-12-24)37(7,8)9;1-34(2,3)27-17-23(10-13-37(43)19-30(37)38)16-26(31(27)35(4,5)6)22-44-28-18-25(20-40-32(28)39)29-21-41-33(45-29)24-11-14-42(15-12-24)36(7,8)9;1-34(2,3)28-18-24(11-14-37(10,43)23-38)17-27(31(28)35(4,5)6)22-44-29-19-26(20-40-32(29)39)30-21-41-33(45-30)25-12-15-42(16-13-25)36(7,8)9;1-34(2,3)28-19-24(10-13-37(43)14-15-37)18-27(31(28)35(4,5)6)23-44-29-20-26(21-39-32(29)38)30-22-40-33(45-30)25-11-16-42(17-12-25)41-36(7,8)9/h17-21,23,25,31-32,44H,12-13,15-16,22H2,1-10H3,(H2,40,41);18-22,24,26,44H,13-14,16-17,23H2,1-11H3,(H2,40,41);16-18,20-21,24,27-28,43H,11-12,14-15,19,22H2,1-9H3,(H2,39,40);16-18,20-21,24,30,43H,11-12,14-15,19,22H2,1-9H3,(H2,39,40);17-21,25,43H,12-13,15-16,22-23H2,1-10H3,(H2,39,40);18-22,25,41,43H,11-12,14-17,23H2,1-9H3,(H2,38,39)
• InChIKey: IJDOMAKHKFNCEU-UHFFFAOYSA-N
• XLogP: 47.08
• TPSA: 519.03 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3814.49
LogP ≤ 5	47.08
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol?

The IUPAC name of 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol (CID 167590457) is 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol.

What is the SMILES notation for 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol?

The canonical SMILES for 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol is CC(C)(C)NN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(C#CC5(O)CC5)cc(C(C)(C)C)c4C(C)(C)C)c3)s2)CC1.CC(C)(C)c1cc(C#CC2(O)C3CC32)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(C)(C)c1cc(C#CC2(O)CC2F)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC(F)C(C)(O)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(O)(C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1)CF.CC1C2C1C2(O)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.

What is the InChIKey of 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol?

The InChIKey is IJDOMAKHKFNCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H52N4O2S.C38H53FN4O2S.C38H50N4O2S.C37H49FN4O2S.C37H51FN4O2S.C37H51N5O2S/c1-23-31-32(23)39(31,44)14-11-24-17-27(33(37(5,6)7)28(18-24)36(2,3)4)22-45-29-19-26(20-41-34(29)40)30-21-42-35(46-30)25-12-15-43(16-13-25)38(8,9)10;1-24(39)38(11,44)15-12-25-18-28(32(36(5,6)7)29(19-25)35(2,3)4)23-45-30-20-27(21-41-33(30)40)31-22-42-34(46-31)26-13-16-43(17-14-26)37(8,9)10;1-35(2,3)29-17-23(10-13-38(43)27-19-28(27)38)16-26(32(29)36(4,5)6)22-44-30-18-25(20-40-33(30)39)31-21-41-34(45-31)24-11-14-42(15-12-24)37(7,8)9;1-34(2,3)27-17-23(10-13-37(43)19-30(37)38)16-26(31(27)35(4,5)6)22-44-28-18-25(20-40-32(28)39)29-21-41-33(45-29)24-11-14-42(15-12-24)36(7,8)9;1-34(2,3)28-18-24(11-14-37(10,43)23-38)17-27(31(28)35(4,5)6)22-44-29-19-26(20-40-32(29)39)30-21-41-33(45-30)25-12-15-42(16-13-25)36(7,8)9;1-34(2,3)28-19-24(10-13-37(43)14-15-37)18-27(31(28)35(4,5)6)23-44-29-20-26(21-39-32(29)38)30-22-40-33(45-30)25-11-16-42(17-12-25)41-36(7,8)9/h17-21,23,25,31-32,44H,12-13,15-16,22H2,1-10H3,(H2,40,41);18-22,24,26,44H,13-14,16-17,23H2,1-11H3,(H2,40,41);16-18,20-21,24,27-28,43H,11-12,14-15,19,22H2,1-9H3,(H2,39,40);16-18,20-21,24,30,43H,11-12,14-15,19,22H2,1-9H3,(H2,39,40);17-21,25,43H,12-13,15-16,22-23H2,1-10H3,(H2,39,40);18-22,25,41,43H,11-12,14-17,23H2,1-9H3,(H2,38,39).

What are the key properties of 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol?

1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol has a molecular weight of 3814.49 g/mol, XLogP of 47.08, 33 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[[2-amino-5-[2-[1-(tert-butylamino)piperidin-4-yl]-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]cyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]bicyclo[1.1.0]butan-2-ol;1-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-2-fluorocyclopropan-1-ol;2-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-4-methylbicyclo[1.1.0]butan-2-ol;4-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-1-fluoro-2-methylbut-3-yn-2-ol;1-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]-4-fluoro-3-methylpent-1-yn-3-ol is sourced from PubChem (CID 167590457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).