About N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 167693525) has the molecular formula C152H155Cl4F4N41O17
and a molecular weight of 3045.99 g/mol. Its IUPAC name is N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.
Frequently Asked Questions
What is the IUPAC name of N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (CID 167693525) is N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is COc1cc(-c2nc(Cc3cc4cn[nH]c4cc3F)n(C)n2)ccc1C(=O)NC(C)(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(-c3ccccn3)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(-c3ccccn3)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(-c3ccncc3)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(CCN3CCOCC3)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Cc3cnc4[nH]ncc4c3)n(C)n2)ccc1OCC(=O)NC(C)C.
What is the InChIKey of N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is XHNQOMXEYQWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN7O4.2C27H26ClN7O3.C25H19ClF3N7O2.C23H25FN6O2.C22H25N7O3/c1-18(2)31-26(37)17-40-23-7-5-20(14-24(23)38-3)28-32-25(36(34-28)9-8-35-10-12-39-13-11-35)15-19-4-6-22-21(27(19)29)16-30-33-22;1-16(2)31-25(36)15-38-22-7-5-18(12-23(22)37-3)27-32-24(35(34-27)19-8-10-29-11-9-19)13-17-4-6-21-20(26(17)28)14-30-33-21;1-16(2)31-25(36)15-38-21-10-8-18(12-22(21)37-3)27-32-24(35(34-27)23-6-4-5-11-29-23)13-17-7-9-20-19(26(17)28)14-30-33-20;1-38-19-10-15(5-7-16(19)24(37)31-13-25(27,28)29)23-33-21(36(35-23)20-4-2-3-9-30-20)11-14-6-8-18-17(22(14)26)12-32-34-18;1-23(2,3)27-22(31)16-7-6-13(9-19(16)32-5)21-26-20(30(4)29-21)10-14-8-15-12-25-28-18(15)11-17(14)24;1-13(2)25-20(30)12-32-17-6-5-15(9-18(17)31-4)22-26-19(29(3)28-22)8-14-7-16-11-24-27-21(16)23-10-14/h4-7,14,16,18H,8-13,15,17H2,1-3H3,(H,30,33)(H,31,37);2*4-12,14,16H,13,15H2,1-3H3,(H,30,33)(H,31,36);2-10,12H,11,13H2,1H3,(H,31,37)(H,32,34);6-9,11-12H,10H2,1-5H3,(H,25,28)(H,27,31);5-7,9-11,13H,8,12H2,1-4H3,(H,25,30)(H,23,24,27).
What are the key properties of N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 3045.99 g/mol, XLogP of 22.67, 49 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[5-[(6-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 167693525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).