About 6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate
6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate (PubChem CID 159583404) has the molecular formula C148H138Cl6F4N22O26
and a molecular weight of 2929.57 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate.
Frequently Asked Questions
What is the IUPAC name of 6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate?
The IUPAC name of 6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate (CID 159583404) is 6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate?
The canonical SMILES for 6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate is CCC(=O)OC1(COc2ccc(-n3cnn4cc(-c5ccc(Cl)cn5)cc4c3=O)cc2OC)CC(F)(F)C1.CCC(=O)O[C@@H](COc1ccc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)cc1OC)C1CC1.CCC(C)(O)COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC.COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC1(O)CC(C)(F)C1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC1(O)CC(C)(F)C1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OC[C@H](O)C1CC1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate?
The InChIKey is MJHPKJZHTQBXNH-UITCURORSA-N. The full InChI is InChI=1S/C26H23ClF2N4O5.C26H25ClN4O5.C25H23ClFN3O4.C24H22ClFN4O4.C24H24ClN3O4.C23H21ClN4O4/c1-3-23(34)38-25(12-26(28,29)13-25)14-37-21-7-5-18(9-22(21)36-2)32-15-31-33-11-16(8-20(33)24(32)35)19-6-4-17(27)10-30-19;1-3-25(32)36-24(16-4-5-16)14-35-22-9-7-19(11-23(22)34-2)30-15-29-31-13-17(10-21(31)26(30)33)20-8-6-18(27)12-28-20;1-24(27)12-25(32,13-24)14-34-21-8-7-19(10-22(21)33-2)29-15-28-30-11-17(9-20(30)23(29)31)16-3-5-18(26)6-4-16;1-23(26)11-24(32,12-23)13-34-20-6-4-17(8-21(20)33-2)29-14-28-30-10-15(7-19(30)22(29)31)18-5-3-16(25)9-27-18;1-4-24(2,30)14-32-21-10-9-19(12-22(21)31-3)27-15-26-28-13-17(11-20(28)23(27)29)16-5-7-18(25)8-6-16;1-31-22-9-17(5-7-21(22)32-12-20(29)14-2-3-14)27-13-26-28-11-15(8-19(28)23(27)30)18-6-4-16(24)10-25-18/h4-11,15H,3,12-14H2,1-2H3;6-13,15-16,24H,3-5,14H2,1-2H3;3-11,15,32H,12-14H2,1-2H3;3-10,14,32H,11-13H2,1-2H3;5-13,15,30H,4,14H2,1-3H3;4-11,13-14,20,29H,2-3,12H2,1H3/t;24-;;;;20-/m.0...0/s1.
What are the key properties of 6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate?
6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate has a molecular weight of 2929.57 g/mol, XLogP of 25.03, 43 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[4-(2-hydroxy-2-methylbutoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;[(1R)-2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] propanoate;[1-[[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]methyl]-3,3-difluorocyclobutyl] propanoate is sourced from PubChem (CID 159583404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).