About sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride
sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride (PubChem CID 159100712) has the molecular formula C119H146ClF6IN26NaO32P
and a molecular weight of 2782.94 g/mol. Its IUPAC name is sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride?
The IUPAC name of sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride (CID 159100712) is sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride.
What is the SMILES notation for sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride?
The canonical SMILES for sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride is COC(=O)/C=C/c1cnc(C)o1.COC(=O)CC(C[N+](=O)[O-])c1cnc(C)o1.COC(=O)CP(=O)(OC)OC.C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[N+](=O)[O-].Cc1ncc(C2CC(=O)N(c3cnn4c3CN(C(=O)Cc3cc(F)c(F)c(F)c3)[C@@H](C)C4)C2)o1.Cc1ncc(C2CC(=O)N(c3cnn4c3CN(C(=O)OC(C)(C)C)[C@@H](C)C4)C2)o1.Cc1ncc(C2CC(=O)N(c3cnn4c3CN[C@@H](C)C4)C2)o1.Cc1ncc(C2CNC(=O)C2)o1.Cc1ncc(C=O)o1.Cl.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride?
The InChIKey is RTGUSIVBVNJHOE-UHNXLLQASA-N. The full InChI is InChI=1S/C23H22F3N5O3.C20H27N5O4.C15H19N5O2.C13H8F3NO2.C12H18IN3O2.C9H12N2O5.C8H10N2O2.C8H9NO3.C5H5NO2.C5H11O5P.CH3NO2.ClH.Na.H/c1-12-9-31-19(11-29(12)21(32)5-14-3-16(24)23(26)17(25)4-14)18(7-28-31)30-10-15(6-22(30)33)20-8-27-13(2)34-20;1-12-9-25-16(11-23(12)19(27)29-20(3,4)5)15(7-22-25)24-10-14(6-18(24)26)17-8-21-13(2)28-17;1-9-7-20-13(4-16-9)12(5-18-20)19-8-11(3-15(19)21)14-6-17-10(2)22-14;14-10-6-8(7-11(15)12(10)16)17-13(18)19-9-4-2-1-3-5-9;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;1-6-10-4-8(16-6)7(5-11(13)14)3-9(12)15-2;1-5-9-4-7(12-5)6-2-8(11)10-3-6;1-6-9-5-7(12-6)3-4-8(10)11-2;1-4-6-2-5(3-7)8-4;1-8-5(6)4-11(7,9-2)10-3;1-2(3)4;;;/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3;7-8,12,14H,6,9-11H2,1-5H3;5-6,9,11,16H,3-4,7-8H2,1-2H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;4,7H,3,5H2,1-2H3;4,6H,2-3H2,1H3,(H,10,11);3-5H,1-2H3;2-3H,1H3;4H2,1-3H3;1H3;1H;;/q;;;;;;;;;;;;+1;-1/b;;;;;;;4-3+;;;;;;/t12-,15?;12-,14?;9-,11?;;8-;;;;;;;;;/m000.0........./s1.
What are the key properties of sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride?
sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride has a molecular weight of 2782.94 g/mol, XLogP of 15.00, 23 rotatable bonds, 3 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(2-methyl-1,3-oxazol-5-yl)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;hydride;methyl 2-dimethoxyphosphorylacetate;methyl 3-(2-methyl-1,3-oxazol-5-yl)-4-nitrobutanoate;methyl (E)-3-(2-methyl-1,3-oxazol-5-yl)prop-2-enoate;2-methyl-1,3-oxazole-5-carbaldehyde;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;4-(2-methyl-1,3-oxazol-5-yl)pyrrolidin-2-one;nitromethane;phenyl N-(3,4,5-trifluorophenyl)carbamate;hydrochloride is sourced from PubChem (CID 159100712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).