About 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol
4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol (PubChem CID 159762627) has the molecular formula C133H155N43O7
and a molecular weight of 2468.00 g/mol. Its IUPAC name is 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol.
Frequently Asked Questions
What is the IUPAC name of 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol?
The IUPAC name of 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol (CID 159762627) is 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol is CC(C)(C)NC1CCN(c2ncc(-c3ccc(-c4cn[nH]n4)cc3O)nn2)C1.CN1CCC2(CC1)CN(c1ncc(-c3ccc(-c4ccc5c(cnn5C)c4)cc3O)nn1)C2.CN1CCC2(CC1)CN(c1ncc(-c3ccc(-c4cnc5c(cnn5C)c4)cc3O)nn1)C2.CN1CCC2(CC1)CN(c1ncc(-c3ccc(-c4cnn(C)c4)cc3O)nn1)C2.Cc1cn(-c2ccc(-c3cnc(N4CC5(CCN(C)CC5)C4)nn3)c(O)c2)cn1.Cn1ccc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)nn3)c(O)c2)cc1=O.
What is the InChIKey of 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol?
The InChIKey is NFBXIPOHFTZFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O.C24H26N8O.C23H28N6O2.2C21H25N7O.C19H24N8O/c1-30-9-7-25(8-10-30)15-32(16-25)24-26-14-21(28-29-24)20-5-3-18(12-23(20)33)17-4-6-22-19(11-17)13-27-31(22)2;1-30-7-5-24(6-8-30)14-32(15-24)23-26-13-20(28-29-23)19-4-3-16(10-21(19)33)17-9-18-12-27-31(2)22(18)25-11-17;1-23(2,3)25-17-8-10-29(14-17)22-24-13-19(26-27-22)18-6-5-15(11-20(18)30)16-7-9-28(4)21(31)12-16;1-26-7-5-21(6-8-26)13-28(14-21)20-22-11-18(24-25-20)17-4-3-15(9-19(17)29)16-10-23-27(2)12-16;1-15-11-27(14-23-15)16-3-4-17(19(29)9-16)18-10-22-20(25-24-18)28-12-21(13-28)5-7-26(2)8-6-21;1-19(2,3)22-13-6-7-27(11-13)18-20-9-16(23-25-18)14-5-4-12(8-17(14)28)15-10-21-26-24-15/h3-6,11-14,33H,7-10,15-16H2,1-2H3;3-4,9-13,33H,5-8,14-15H2,1-2H3;5-7,9,11-13,17,25,30H,8,10,14H2,1-4H3;3-4,9-12,29H,5-8,13-14H2,1-2H3;3-4,9-11,14,29H,5-8,12-13H2,1-2H3;4-5,8-10,13,22,28H,6-7,11H2,1-3H3,(H,21,24,26).
What are the key properties of 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol?
4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol has a molecular weight of 2468.00 g/mol, XLogP of 15.07, 20 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2H-triazol-4-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(4-methylimidazol-1-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol;2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 159762627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).