About 3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine
3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine (PubChem CID 160640662) has the molecular formula C190H228N32O7S5Se
and a molecular weight of 3311.43 g/mol. Its IUPAC name is 3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine.
Frequently Asked Questions
What is the IUPAC name of 3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine (CID 160640662) is 3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine is CC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(N4CCNCC4)s3)cnc2N)c1.CC1CN(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)C)c4)c3)s2)CC(C)N1C.CN1CCC(c2ccnc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)C)c4)c3)c2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)C)c4)c3)[se]2)CC1.CN1CCCN(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)C)c4)c3)s2)CC1.CN1CCN(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)C)c4)c3)s2)CC1.Cc1nc(C2CCN(C)CC2)sc1-c1cnc(N)c(OCc2cccc(C#CC(C)(C)C)c2)c1.
What is the InChIKey of 3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine?
The InChIKey is RJDADLKYBMBSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O.C28H35N5OS.C28H34N4OS.C27H33N5OS.C27H32N4OSe.C26H31N5OS.C25H29N5OS/c1-29(2,3)12-8-21-6-5-7-22(16-21)20-34-27-18-25(19-32-28(27)30)26-17-24(9-13-31-26)23-10-14-33(4)15-11-23;1-19-16-33(17-20(2)32(19)6)27-31-15-25(35-27)23-13-24(26(29)30-14-23)34-18-22-9-7-8-21(12-22)10-11-28(3,4)5;1-19-25(34-27(31-19)22-10-13-32(5)14-11-22)23-16-24(26(29)30-17-23)33-18-21-8-6-7-20(15-21)9-12-28(2,3)4;1-27(2,3)10-9-20-7-5-8-21(15-20)19-33-23-16-22(17-29-25(23)28)24-18-30-26(34-24)32-12-6-11-31(4)13-14-32;1-27(2,3)11-8-19-6-5-7-20(14-19)18-32-23-15-22(16-29-25(23)28)24-17-30-26(33-24)21-9-12-31(4)13-10-21;1-26(2,3)9-8-19-6-5-7-20(14-19)18-32-22-15-21(16-28-24(22)27)23-17-29-25(33-23)31-12-10-30(4)11-13-31;1-25(2,3)8-7-18-5-4-6-19(13-18)17-31-21-14-20(15-28-23(21)26)22-16-29-24(32-22)30-11-9-27-10-12-30/h5-7,9,13,16-19,23H,10-11,14-15,20H2,1-4H3,(H2,30,32);7-9,12-15,19-20H,16-18H2,1-6H3,(H2,29,30);6-8,15-17,22H,10-11,13-14,18H2,1-5H3,(H2,29,30);5,7-8,15-18H,6,11-14,19H2,1-4H3,(H2,28,29);5-7,14-17,21H,9-10,12-13,18H2,1-4H3,(H2,28,29);5-7,14-17H,10-13,18H2,1-4H3,(H2,27,28);4-6,13-16,27H,9-12,17H2,1-3H3,(H2,26,28).
What are the key properties of 3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine?
3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine has a molecular weight of 3311.43 g/mol, XLogP of 34.85, 35 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-selenazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperazin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 160640662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).