About 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 157193211) has the molecular formula C135H143N43O28S2
and a molecular weight of 2880.04 g/mol. Its IUPAC name is 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (CID 157193211) is 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is COCCOCCOc1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.COCCOc1ccc2c(c1)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.COc1cc2c(cn1)CN(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2=O.CS(=O)(=O)c1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.CSc1ccc2c(c1)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.O=C(Nc1cnccc1N1CCNCC1)c1nnc(N2Cc3ccc(OCC4CCCO4)cc3C2=O)o1.
What is the InChIKey of 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is APYCBTIQPLHJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O6.C25H27N7O5.C23H25N7O5.C21H21N7O5S.C21H21N7O3S.C20H20N8O4/c1-35-10-11-36-12-13-37-18-3-2-17-16-32(24(34)19(17)14-18)25-30-29-23(38-25)22(33)28-20-15-27-5-4-21(20)31-8-6-26-7-9-31;33-22(28-20-13-27-6-5-21(20)31-9-7-26-8-10-31)23-29-30-25(37-23)32-14-16-3-4-17(12-19(16)24(32)34)36-15-18-2-1-11-35-18;1-33-10-11-34-16-2-3-17-15(12-16)14-30(22(17)32)23-28-27-21(35-23)20(31)26-18-13-25-5-4-19(18)29-8-6-24-7-9-29;1-34(31,32)14-3-2-13-12-28(20(30)15(13)10-14)21-26-25-19(33-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;1-32-14-3-2-13-12-28(20(30)15(13)10-14)21-26-25-19(31-21)18(29)24-16-11-23-5-4-17(16)27-8-6-22-7-9-27;1-31-16-8-13-12(9-23-16)11-28(19(13)30)20-26-25-18(32-20)17(29)24-14-10-22-3-2-15(14)27-6-4-21-5-7-27/h2-5,14-15,26H,6-13,16H2,1H3,(H,28,33);3-6,12-13,18,26H,1-2,7-11,14-15H2,(H,28,33);2-5,12-13,24H,6-11,14H2,1H3,(H,26,31);2-5,10-11,22H,6-9,12H2,1H3,(H,24,29);2-5,10-11,22H,6-9,12H2,1H3,(H,24,29);2-3,8-10,21H,4-7,11H2,1H3,(H,24,29).
What are the key properties of 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 2880.04 g/mol, XLogP of 7.88, 41 rotatable bonds, 12 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(6-methoxy-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide;5-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 157193211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).