About sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide
sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide (PubChem CID 159874463) has the molecular formula C129H179Br2Cl4N24NaO6
and a molecular weight of 2486.62 g/mol. Its IUPAC name is sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide.
Frequently Asked Questions
What is the IUPAC name of sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide?
The IUPAC name of sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide (CID 159874463) is sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide.
What is the SMILES notation for sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide?
The canonical SMILES for sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide is C.C.C.C.C.C.C.C=CC(=O)N(C)c1cnc2nc(C3C[C@@H]4CN(C)C[C@@H]4C3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(C3C[C@@H]4CN(C)C[C@@H]4C3)n(Cc3ccccc3)c2c1.CN.CN1C[C@H]2CC(c3nc4ncc(Br)cc4n3Cc3ccccc3)C[C@H]2C1.CN1C[C@H]2CC(c3nc4ncc(N(C)C(=O)CCCl)cc4n3Cc3ccccc3)C[C@H]2C1.CN1C[C@H]2CNC[C@H]2C1.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.O=C(Cl)CCCl.OC1CCCO1.[Na+].[OH-].
What is the InChIKey of sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide?
The InChIKey is NSSNKMRZHOTBHI-XWBJYSCBSA-M. The full InChI is InChI=1S/C25H30ClN5O.C25H29N5O.C23H28N4.C21H23BrN4.C13H9BrClN3.C7H14N2.C4H8O2.C3H4Cl2O.CH5N.7CH4.Na.H2O/c1-29-15-19-10-18(11-20(19)16-29)25-28-24-22(31(25)14-17-6-4-3-5-7-17)12-21(13-27-24)30(2)23(32)8-9-26;1-4-23(31)29(3)21-12-22-24(26-13-21)27-25(30(22)14-17-8-6-5-7-9-17)18-10-19-15-28(2)16-20(19)11-18;1-3-16-9-21-22(24-12-16)25-23(27(21)13-17-7-5-4-6-8-17)18-10-19-14-26(2)15-20(19)11-18;1-25-12-16-7-15(8-17(16)13-25)21-24-20-19(9-18(22)10-23-20)26(21)11-14-5-3-2-4-6-14;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-9-4-6-2-8-3-7(6)5-9;5-4-2-1-3-6-4;4-2-1-3(5)6;1-2;;;;;;;;;/h3-7,12-13,18-20H,8-11,14-16H2,1-2H3;4-9,12-13,18-20H,1,10-11,14-16H2,2-3H3;4-9,12,18-20H,3,10-11,13-15H2,1-2H3;2-6,9-10,15-17H,7-8,11-13H2,1H3;1-7H,8H2;6-8H,2-5H2,1H3;4-5H,1-3H2;1-2H2;2H2,1H3;7*1H4;;1H2/q;;;;;;;;;;;;;;;;+1;/p-1/t3*18?,19-,20+;15?,16-,17+;;6-,7+;;;;;;;;;;;;.
What are the key properties of sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide?
sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide has a molecular weight of 2486.62 g/mol, XLogP of 22.22, 22 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-bromoimidazo[4,5-b]pyridine;2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzyl-6-ethylimidazo[4,5-b]pyridine;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-3-chloro-N-methylpropanamide;N-[2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-benzylimidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;3-chloropropanoyl chloride;methanamine;methane;oxolan-2-ol;hydroxide is sourced from PubChem (CID 159874463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).