About 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 167675412) has the molecular formula C172H182ClF18N43O16
and a molecular weight of 3485.05 g/mol. Its IUPAC name is 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 167675412) is 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is CCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Cc1ccc2[nH]ncc2c1C.COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(C)c2)nc1Cc1ccc2[nH]ncc2c1C.COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(C3CC3)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(CC(C)C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3C)n(CC(C)C)n2)ccc1OCC(=O)NC(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is USWZTPVEMFBVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3.C26H27ClF3N7O3.C25H27F3N6O2.C24H23F3N6O2.C24H25F3N6O2.2C23H23F3N6O2/c1-16(2)14-33-25(12-19-7-9-22-21(18(19)5)13-28-31-22)30-27(32-33)20-8-10-23(24(11-20)35-6)36-15-26(34)29-17(3)4;1-36-22(10-15-3-5-19-18(24(15)27)11-31-34-19)33-25(35-36)16-4-6-20(21(9-16)39-2)40-13-23(38)32-17-7-8-37(12-17)14-26(28,29)30;1-14(2)12-34-22(10-16-6-8-20-19(15(16)3)11-30-32-20)31-23(33-34)17-5-7-18(21(9-17)36-4)24(35)29-13-25(26,27)28;1-13-14(4-8-19-18(13)11-29-31-19)10-21-30-22(32-33(21)16-5-6-16)15-3-7-17(20(9-15)35-2)23(34)28-12-24(25,26)27;1-14-10-17(4-6-18(14)23(34)28-13-24(25,26)27)22-30-21(33(32-22)8-9-35-3)11-16-5-7-20-19(15(16)2)12-29-31-20;1-14-17(7-8-19-18(14)12-28-30-19)11-20-29-21(31-32(20)9-10-34-2)15-3-5-16(6-4-15)22(33)27-13-23(24,25)26;1-4-32-20(10-14-6-8-18-17(13(14)2)11-28-30-18)29-21(31-32)15-5-7-16(19(9-15)34-3)22(33)27-12-23(24,25)26/h7-11,13,16-17H,12,14-15H2,1-6H3,(H,28,31)(H,29,34);3-6,9,11,17H,7-8,10,12-14H2,1-2H3,(H,31,34)(H,32,38);5-9,11,14H,10,12-13H2,1-4H3,(H,29,35)(H,30,32);3-4,7-9,11,16H,5-6,10,12H2,1-2H3,(H,28,34)(H,29,31);4-7,10,12H,8-9,11,13H2,1-3H3,(H,28,34)(H,29,31);3-8,12H,9-11,13H2,1-2H3,(H,27,33)(H,28,30);5-9,11H,4,10,12H2,1-3H3,(H,27,33)(H,28,30).
What are the key properties of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 3485.05 g/mol, XLogP of 28.73, 57 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide;4-[1-cyclopropyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[1-(2-methoxyethyl)-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;2-[2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-methoxy-4-[5-[(4-methyl-1H-indazol-5-yl)methyl]-1-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 167675412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).