About 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one
7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one (PubChem CID 158328821) has the molecular formula C114H119FN24O10
and a molecular weight of 2004.36 g/mol. Its IUPAC name is 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one.
Frequently Asked Questions
What is the IUPAC name of 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one?
The IUPAC name of 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one (CID 158328821) is 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one.
What is the SMILES notation for 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one?
The canonical SMILES for 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one is Cc1cn2cc(-c3cc4c(F)cc(N5CCN(C)[C@@H](C)C5)cc4oc3=O)nc2cn1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)[C@H](C)C5)cc4oc3=O)ccc2n1.Cc1cn2cc(-c3cc4ccc(N5CCN(C)[C@H](C)C5)cc4oc3=O)cnc2n1.Cc1cn2cc(-c3cc4ccc(N5C[C@H]6CCCN(C)[C@H]6C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N[C@H]5CCN(C)C5)cc4oc3=O)nc2c(C)n1.
What is the InChIKey of 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one?
The InChIKey is GPTDLKQECJOVAR-GDTACWETSA-N. The full InChI is InChI=1S/C25H27N5O2.C23H24N4O2.C22H22FN5O2.2C22H23N5O2/c1-15-11-30-13-21(27-24(30)16(2)26-15)20-9-17-6-7-19(10-23(17)32-25(20)31)29-12-18-5-4-8-28(3)22(18)14-29;1-15-12-27-14-18(5-7-22(27)24-15)20-10-17-4-6-19(11-21(17)29-23(20)28)26-9-8-25(3)16(2)13-26;1-13-10-28-12-19(25-21(28)9-24-13)17-8-16-18(23)6-15(7-20(16)30-22(17)29)27-5-4-26(3)14(2)11-27;1-14-11-27-13-17(10-23-22(27)24-14)19-8-16-4-5-18(9-20(16)29-21(19)28)26-7-6-25(3)15(2)12-26;1-13-10-27-12-19(25-21(27)14(2)23-13)18-8-15-4-5-16(9-20(15)29-22(18)28)24-17-6-7-26(3)11-17/h6-7,9-11,13,18,22H,4-5,8,12,14H2,1-3H3;4-7,10-12,14,16H,8-9,13H2,1-3H3;6-10,12,14H,4-5,11H2,1-3H3;4-5,8-11,13,15H,6-7,12H2,1-3H3;4-5,8-10,12,17,24H,6-7,11H2,1-3H3/t18-,22+;16-;14-;15-;17-/m11010/s1.
What are the key properties of 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one?
7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one has a molecular weight of 2004.36 g/mol, XLogP of 16.48, 11 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyrimidin-6-yl)chromen-2-one is sourced from PubChem (CID 158328821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).