About magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride
magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride (PubChem CID 159795986) has the molecular formula C158H196BrClMgN34O11
and a molecular weight of 2887.19 g/mol. Its IUPAC name is magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride.
Frequently Asked Questions
What is the IUPAC name of magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride?
The IUPAC name of magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride (CID 159795986) is magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride.
What is the SMILES notation for magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride?
The canonical SMILES for magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride is C1CCOC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5C[C@@H]6CC(O)(c7ccccc7)C[C@@H]6C5)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5C[C@@H]6CC(O)(c7ccccc7)C[C@@H]6C5)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5C[C@H]6CC(=O)C[C@H]6C5)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5C[C@H]6CC(O)C[C@H]6C5)cccn4n3)cc2)CC1.OC1C[C@H]2CCC[C@H]2C1.[Cl-].[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride?
The InChIKey is HQADBPUMQJWNEH-QGMFXNFZSA-M. The full InChI is InChI=1S/2C33H39N7O2.C27H35N7O2.C27H33N7O2.C20H23BrN6O.C8H14O.C6H5.C4H8O.ClH.Mg/c2*1-37-17-14-28(15-18-37)38(2)31(41)23-10-12-27(13-11-23)34-32-35-30-29(9-6-16-40(30)36-32)39-21-24-19-33(42,20-25(24)22-39)26-7-4-3-5-8-26;2*1-31-12-9-22(10-13-31)32(2)26(36)18-5-7-21(8-6-18)28-27-29-25-24(4-3-11-34(25)30-27)33-16-19-14-23(35)15-20(19)17-33;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;9-8-4-6-2-1-3-7(6)5-8;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h2*3-13,16,24-25,28,42H,14-15,17-22H2,1-2H3,(H,34,36);3-8,11,19-20,22-23,35H,9-10,12-17H2,1-2H3,(H,28,30);3-8,11,19-20,22H,9-10,12-17H2,1-2H3,(H,28,30);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);6-9H,1-5H2;1-5H;1-4H2;1H;/q;;;;;;-1;;;+2/p-1/t2*24-,25+,33?;19-,20+,23?;19-,20+;;6-,7+,8?;;;;.
What are the key properties of magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride?
magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride has a molecular weight of 2887.19 g/mol, XLogP of 18.51, 26 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;4-[[8-[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide);4-[[8-[(3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;oxolane;chloride is sourced from PubChem (CID 159795986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).