About 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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine)
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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine) (PubChem CID 167626246) has the molecular formula C234H328N26O10S5
and a molecular weight of 3825.70 g/mol. Its IUPAC name is 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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine).
Frequently Asked Questions
What is the IUPAC name of 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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine)?
The IUPAC name of 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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine) (CID 167626246) is 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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine).
What is the SMILES notation for 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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine)?
The canonical SMILES for 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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine) is CC(C)(C)C#Cc1cc(COc2cc(-c3ccc(C4CCN(C(C)(C)C)CC4)cn3)ncc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)C#Cc1cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c(C(C)(C)C)c(C(C)(C)C)c1.CC(C)(C)c1cc(C#CC2(O)CCCCC2=O)cc(COc2cc(-c3cnc(C4CCN(C(C)(C)C)CC4)s3)cnc2N)c1C(C)(C)C.CC1CN(C(C)(C)C)CCN1c1ncc(-c2cnc(N)c(OCc3cc(C#CC(C)(C)C)cc(C(C)(C)C)c3C(C)(C)C)c2)s1.CN1CCCC(O)(C#Cc2cc(COc3cc(-c4cnc(C5CCN(C(C)(C)C)CC5)s4)cnc3N)c(C(C)(C)C)c(C(C)(C)C)c2)C1=O.
What is the InChIKey of 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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine)?
The InChIKey is NDKIRWAHFINWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H55N5O3S.C40H54N4O3S.C40H56N4O.C38H55N5OS.2C38H54N4OS/c1-37(2,3)30-21-26(12-16-40(47)15-11-17-44(10)36(40)46)20-29(33(30)38(4,5)6)25-48-31-22-28(23-42-34(31)41)32-24-43-35(49-32)27-13-18-45(19-14-27)39(7,8)9;1-37(2,3)30-21-26(13-17-40(46)16-11-10-12-33(40)45)20-29(34(30)38(4,5)6)25-47-31-22-28(23-42-35(31)41)32-24-43-36(48-32)27-14-18-44(19-15-27)39(7,8)9;1-37(2,3)18-15-27-21-30(36(39(7,8)9)31(22-27)38(4,5)6)26-45-35-23-34(43-25-32(35)41)33-14-13-29(24-42-33)28-16-19-44(20-17-28)40(10,11)12;1-25-23-42(38(11,12)13)16-17-43(25)34-41-22-31(45-34)27-20-30(33(39)40-21-27)44-24-28-18-26(14-15-35(2,3)4)19-29(36(5,6)7)32(28)37(8,9)10;2*1-35(2,3)16-13-25-19-28(32(37(7,8)9)29(20-25)36(4,5)6)24-43-30-21-27(22-40-33(30)39)31-23-41-34(44-31)26-14-17-42(18-15-26)38(10,11)12/h20-24,27,47H,11,13-15,17-19,25H2,1-10H3,(H2,41,42);20-24,27,46H,10-12,14-16,18-19,25H2,1-9H3,(H2,41,42);13-14,21-25,28H,16-17,19-20,26,41H2,1-12H3;18-22,25H,16-17,23-24H2,1-13H3,(H2,39,40);2*19-23,26H,14-15,17-18,24H2,1-12H3,(H2,39,40).
What are the key properties of 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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine)?
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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine) has a molecular weight of 3825.70 g/mol, XLogP of 52.06, 30 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-2-hydroxycyclohexan-1-one;3-[2-[3-[[2-amino-5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4,5-ditert-butylphenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;5-[2-(4-tert-butyl-2-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine;6-[5-(1-tert-butylpiperidin-4-yl)-2-pyridinyl]-4-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-3-amine;bis(5-[2-(1-tert-butylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[2,3-ditert-butyl-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine) is sourced from PubChem (CID 167626246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).