About 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride
6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride (PubChem CID 159978998) has the molecular formula C153H204ClN27O27Si4
and a molecular weight of 3001.27 g/mol. Its IUPAC name is 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride?
The IUPAC name of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride (CID 159978998) is 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride?
The canonical SMILES for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride is CC(C)N1CCn2c(CCC(=O)[C@H](NC(=O)c3c[nH]c4ncc(C5CC5)nc34)C3CC3)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CCC(=O)[C@H](NC(=O)c3cn(COCC[Si](C)(C)C)c4ncc(C5CC5)nc34)C3CC3)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.COC(=O)[C@H](N)C1CC1.COC(=O)[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C1CC1.C[Si](C)(C)CCOCn1cc(C(=O)N[C@@H](C(=O)O)C2CC2)c2nc(C3CC3)cnc21.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(C3CC3)cnc21.Cl.
What is the InChIKey of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride?
The InChIKey is WMEKZWXMMDVWSE-TVNATXOISA-N. The full InChI is InChI=1S/C41H52N6O6Si.C28H32N6O5.C22H32N4O4Si.C21H30N4O4Si.C19H23N3O3.C16H23N3O3Si.C6H11NO2.ClH/c1-26(2)46-17-18-47-30(21-34(49)38(37(47)41(46)51)53-24-27-9-7-6-8-10-27)15-16-33(48)35(29-13-14-29)44-40(50)31-23-45(25-52-19-20-54(3,4)5)39-36(31)43-32(22-42-39)28-11-12-28;1-14(2)33-9-10-34-17(11-21(36)25(37)24(34)28(33)39)7-8-20(35)22(16-5-6-16)32-27(38)18-12-29-26-23(18)31-19(13-30-26)15-3-4-15;1-29-22(28)18(15-7-8-15)25-21(27)16-12-26(13-30-9-10-31(2,3)4)20-19(16)24-17(11-23-20)14-5-6-14;1-30(2,3)9-8-29-12-25-11-15(20(26)24-17(21(27)28)14-6-7-14)18-19(25)22-10-16(23-18)13-4-5-13;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;1-23(2,3)7-6-22-10-19-9-12(16(20)21)14-15(19)17-8-13(18-14)11-4-5-11;1-9-6(8)5(7)4-2-3-4;/h6-10,21-23,26,28-29,35H,11-20,24-25H2,1-5H3,(H,44,50);11-16,22,37H,3-10H2,1-2H3,(H,29,30)(H,32,38);11-12,14-15,18H,5-10,13H2,1-4H3,(H,25,27);10-11,13-14,17H,4-9,12H2,1-3H3,(H,24,26)(H,27,28);3-7,10,13H,8-9,11-12,20H2,1-2H3;8-9,11H,4-7,10H2,1-3H3,(H,20,21);4-5H,2-3,7H2,1H3;1H/t35-;22-;18-;17-;;;5-;/m1111..1./s1.
What are the key properties of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride?
6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride has a molecular weight of 3001.27 g/mol, XLogP of 20.12, 60 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1R)-1-cyclopropyl-4-(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetic acid;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;methyl (2R)-2-amino-2-cyclopropylacetate;methyl (2R)-2-cyclopropyl-2-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]acetate;hydrochloride is sourced from PubChem (CID 159978998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).