About 2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 159045711) has the molecular formula C182H216F6N44O22
and a molecular weight of 3486.00 g/mol. Its IUPAC name is 2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 159045711) is 2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1C.COCCn1nc(-c2ccc(OCC(=O)NC(C)C)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3)n(CCN3CCCCC3)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3)n(CCN3CCOCC3)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(C(C)C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(C(C)C)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(C(C)C)n2)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is JWPXEFNLXOHNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O3.C28H35N7O4.2C26H32N6O3.C25H30N6O4.C24H25F3N6O3.C24H25F3N6O2/c1-20(2)31-28(37)19-39-25-10-8-22(17-26(25)38-3)29-32-27(16-21-7-9-24-23(15-21)18-30-33-24)36(34-29)14-13-35-11-5-4-6-12-35;1-19(2)30-27(36)18-39-24-7-5-21(16-25(24)37-3)28-31-26(15-20-4-6-23-22(14-20)17-29-32-23)35(33-28)9-8-34-10-12-38-13-11-34;2*1-15(2)28-25(33)14-35-22-10-8-19(11-23(22)34-6)26-29-24(32(31-26)16(3)4)12-18-7-9-21-20(17(18)5)13-27-30-21;1-16(2)27-24(32)15-35-21-8-6-18(13-22(21)34-4)25-28-23(31(30-25)9-10-33-3)12-17-5-7-20-19(11-17)14-26-29-20;1-14-15(5-7-19-18(14)12-29-31-19)11-21-30-22(32-33(21)8-9-35-2)16-4-6-17(20(10-16)36-3)23(34)28-13-24(25,26)27;1-13(2)33-21(10-15-6-8-19-18(14(15)3)11-29-31-19)30-22(32-33)16-5-7-17(20(9-16)35-4)23(34)28-12-24(25,26)27/h7-10,15,17-18,20H,4-6,11-14,16,19H2,1-3H3,(H,30,33)(H,31,37);4-7,14,16-17,19H,8-13,15,18H2,1-3H3,(H,29,32)(H,30,36);2*7-11,13,15-16H,12,14H2,1-6H3,(H,27,30)(H,28,33);5-8,11,13-14,16H,9-10,12,15H2,1-4H3,(H,26,29)(H,27,32);4-7,10,12H,8-9,11,13H2,1-3H3,(H,28,34)(H,29,31);5-9,11,13H,10,12H2,1-4H3,(H,28,34)(H,29,31).
What are the key properties of 2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 3486.00 g/mol, XLogP of 26.13, 67 rotatable bonds, 14 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-(2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;bis(2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide);2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-propan-2-yl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 159045711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).