About 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate
6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate (PubChem CID 158559541) has the molecular formula C159H164Cl6N28O24
and a molecular weight of 3063.95 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate.
Frequently Asked Questions
What is the IUPAC name of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate?
The IUPAC name of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate (CID 158559541) is 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate?
The canonical SMILES for 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate is CC(C)[C@H](C)C(=O)OC1CCN(c2ccc(-n3cnn4cc(-c5ccc(Cl)cc5)cc4c3=O)cn2)CC1.CC(C)[C@H](C)C(=O)O[C@@H]1CCN(c2ccc(-n3cnn4cc(-c5ccc(Cl)cc5)cc4c3=O)cn2)C1.CCC(=O)OC(C)(C)COc1ccc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)cc1OC.COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)ccc1OCC(O)C1CC1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1N1CC[C@@H](OC(=O)[C@@H](C)C(C)C)C1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC(OC(=O)[C@@H](C)C(C)C)C1CC1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate?
The InChIKey is HQSAZUBPBVFPEB-FCTNYSFZSA-N. The full InChI is InChI=1S/C29H31ClN4O5.C28H30ClN5O4.C28H30ClN5O3.C27H28ClN5O3.C24H24ClN5O5.C23H21ClN4O4/c1-17(2)18(3)29(36)39-27(19-5-6-19)15-38-25-10-8-22(12-26(25)37-4)33-16-32-34-14-20(11-24(34)28(33)35)23-9-7-21(30)13-31-23;1-17(2)18(3)28(36)38-22-9-10-32(15-22)24-8-6-21(12-26(24)37-4)33-16-31-34-14-19(11-25(34)27(33)35)23-7-5-20(29)13-30-23;1-18(2)19(3)28(36)37-24-10-12-32(13-11-24)26-9-8-23(15-30-26)33-17-31-34-16-21(14-25(34)27(33)35)20-4-6-22(29)7-5-20;1-17(2)18(3)27(35)36-23-10-11-31(15-23)25-9-8-22(13-29-25)32-16-30-33-14-20(12-24(33)26(32)34)19-4-6-21(28)7-5-19;1-5-21(31)35-24(2,3)13-34-19-7-6-17(9-20(19)33-4)29-14-28-30-12-15(8-18(30)23(29)32)22-26-10-16(25)11-27-22;1-31-21-10-17(8-9-20(21)32-12-19(29)15-2-3-15)27-13-25-28-11-18(26-22(28)23(27)30)14-4-6-16(24)7-5-14/h7-14,16-19,27H,5-6,15H2,1-4H3;5-8,11-14,16-18,22H,9-10,15H2,1-4H3;4-9,14-19,24H,10-13H2,1-3H3;4-9,12-14,16-18,23H,10-11,15H2,1-3H3;6-12,14H,5,13H2,1-4H3;4-11,13,15,19,29H,2-3,12H2,1H3/t18-,27?;18-,22+;19-;18-,23+;;/m0000../s1.
What are the key properties of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate?
6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate has a molecular weight of 3063.95 g/mol, XLogP of 26.52, 44 rotatable bonds, 1 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]imidazo[2,1-f][1,2,4]triazin-4-one;[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]piperidin-4-yl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[2-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;[(3R)-1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenyl]pyrrolidin-3-yl] (2S)-2,3-dimethylbutanoate;[1-[4-[6-(5-chloropyrimidin-2-yl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] propanoate is sourced from PubChem (CID 158559541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).