About (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate
(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate (PubChem CID 158796687) has the molecular formula C100H132F6IN17O31
and a molecular weight of 2309.14 g/mol. Its IUPAC name is (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate.
Frequently Asked Questions
What is the IUPAC name of (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate?
The IUPAC name of (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate (CID 158796687) is (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate.
What is the SMILES notation for (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate?
The canonical SMILES for (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate is CC1(C)O[C@@H]2COC(=O)[C@@H]2O1.CC1(C)O[C@H](CO)[C@H](C(N)=O)O1.C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3C[C@@H](O)[C@@H](O)C3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3C[C@H]4OC(C)(C)O[C@H]4C3=O)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(NC(=O)[C@@H]3OC(C)(C)O[C@@H]3CO)c2CN1C(=O)OC(C)(C)C.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1OC[C@@H](O)[C@H]1O.
What is the InChIKey of (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate?
The InChIKey is ISYGZWIDDSJUHV-LTBXPITOSA-N. The full InChI is InChI=1S/C19H19F3N4O4.C19H30N4O6.C19H28N4O5.C13H8F3NO2.C12H18IN3O2.C7H13NO4.C7H10O4.C4H6O4/c1-9-6-26-14(13(5-23-26)25-8-15(27)18(29)19(25)30)7-24(9)16(28)4-10-2-11(20)17(22)12(21)3-10;1-11-8-23-13(9-22(11)17(26)29-18(2,3)4)12(7-20-23)21-16(25)15-14(10-24)27-19(5,6)28-15;1-11-8-23-13(9-21(11)17(25)28-18(2,3)4)12(7-20-23)22-10-14-15(16(22)24)27-19(5,6)26-14;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;1-7(2)11-4(3-9)5(12-7)6(8)10;1-7(2)10-4-3-9-6(8)5(4)11-7;5-2-1-8-4(7)3(2)6/h2-3,5,9,15,18,27,29H,4,6-8H2,1H3;7,11,14-15,24H,8-10H2,1-6H3,(H,21,25);7,11,14-15H,8-10H2,1-6H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;4-5,9H,3H2,1-2H3,(H2,8,10);4-5H,3H2,1-2H3;2-3,5-6H,1H2/t9-,15+,18+;2*11-,14+,15+;;8-;2*4-,5-;2-,3-/m000.0111/s1.
What are the key properties of (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate?
(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate has a molecular weight of 2309.14 g/mol, XLogP of 7.36, 11 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;tert-butyl (6S)-3-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-[[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]amino]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(3R,4R)-3,4-dihydroxy-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;(3R,4R)-3,4-dihydroxyoxolan-2-one;(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide;phenyl N-(3,4,5-trifluorophenyl)carbamate is sourced from PubChem (CID 158796687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).