7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C255H251ClF3N70O43S2+ — CID 161120590

IUPAC7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CCO4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CN(c3c(N)c(=O)c3=O)CC4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)OC(F)(F)O4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)OCO4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4oc(=O)[nH]c4c3)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4oc(=O)n(C)c4c3)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4occc4c3)ncnc12.C[n+]1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)CCc5ccccc5)c[nH]c34)cc2N1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5ccccc5)c[nH]c34)cc2N1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5cccs5)c[nH]c34)cc2N1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5cc6ccccc6s5)c[nH]c34)cc2N1
InChIInChI=1S/C25H18N6O4S.C25H22N6O4.C24H20N6O4.C23H21N7O4.C22H18N6O4S.C20H17ClFN7O.C18H16N6O4.C18H17N5O3.C18H15N5O3.C17H13F2N5O4.C17H14N6O4.C17H15N5O4.11CH4/c32-20-11-35-17-6-5-13(7-15(17)30-20)9-27-25(34)23-22-21(28-12-29-23)16(10-26-22)31-24(33)19-8-14-3-1-2-4-18(14)36-19;32-20(9-7-15-4-2-1-3-5-15)31-18-12-26-23-22(18)28-14-29-24(23)25(34)27-11-16-6-8-19-17(10-16)30-21(33)13-35-19;31-19(9-14-4-2-1-3-5-14)30-17-11-25-22-21(17)27-13-28-23(22)24(33)26-10-15-6-7-18-16(8-15)29-20(32)12-34-18;1-11(31)29-15-8-25-18-17(15)27-10-28-19(18)23(34)26-7-12-2-3-13-4-5-30(9-14(13)6-12)20-16(24)21(32)22(20)33;29-17(7-13-2-1-5-33-13)28-15-9-23-20-19(15)25-11-26-21(20)22(31)24-8-12-3-4-16-14(6-12)27-18(30)10-32-16;1-29-6-4-12(5-7-29)9-23-19-17-16(27-28-19)18(26-11-25-17)20(30)24-10-13-2-3-15(22)14(21)8-13;1-9(25)23-11-7-19-15-14(11)21-8-22-16(15)17(26)20-6-10-3-4-13-12(5-10)24(2)18(27)28-13;2*1-10(24)23-13-8-19-16-15(13)21-9-22-17(16)18(25)20-7-11-2-3-14-12(6-11)4-5-26-14;1-8(25)24-10-6-20-14-13(10)22-7-23-15(14)16(26)21-5-9-2-3-11-12(4-9)28-17(18,19)27-11;1-8(24)22-11-6-18-14-13(11)20-7-21-15(14)16(25)19-5-9-2-3-12-10(4-9)23-17(26)27-12;1-9(23)22-11-6-18-15-14(11)20-7-21-16(15)17(24)19-5-10-2-3-12-13(4-10)26-8-25-12;;;;;;;;;;;/h1-8,10,12,26H,9,11H2,(H,27,34)(H,30,32)(H,31,33);1-6,8,10,12,14,26H,7,9,11,13H2,(H,27,34)(H,30,33)(H,31,32);1-8,11,13,25H,9-10,12H2,(H,26,33)(H,29,32)(H,30,31);2-3,6,8,10,25H,4-5,7,9,24H2,1H3,(H,26,34)(H,29,31);1-6,9,11,23H,7-8,10H2,(H,24,31)(H,27,30)(H,28,29);2-8,11H,9-10H2,1H3,(H2-,23,24,25,26,27,28,30);3-5,7-8,19H,6H2,1-2H3,(H,20,26)(H,23,25);2-3,6,8-9,19H,4-5,7H2,1H3,(H,20,25)(H,23,24);2-6,8-9,19H,7H2,1H3,(H,20,25)(H,23,24);2-4,6-7,20H,5H2,1H3,(H,21,26)(H,24,25);2-4,6-7,18H,5H2,1H3,(H,19,25)(H,22,24)(H,23,26);2-4,6-7,18H,5,8H2,1H3,(H,19,24)(H,22,23);11*1H4/p+1
InChIKeyUKWZVAGXUMYQJG-UHFFFAOYSA-O
MW5140.84 g/mol
LogP32.12
Rot. Bonds59

About 7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 161120590) has the molecular formula C255H251ClF3N70O43S2+ and a molecular weight of 5140.84 g/mol. Its IUPAC name is 7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID161120590
Molecular FormulaC255H251ClF3N70O43S2+
Molecular Weight5140.84 g/mol
Exact Mass5136.87
IUPAC Name7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CCO4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CN(c3c(N)c(=O)c3=O)CC4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)OC(F)(F)O4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)OCO4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4oc(=O)[nH]c4c3)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4oc(=O)n(C)c4c3)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4occc4c3)ncnc12.C[n+]1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)CCc5ccccc5)c[nH]c34)cc2N1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5ccccc5)c[nH]c34)cc2N1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5cccs5)c[nH]c34)cc2N1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5cc6ccccc6s5)c[nH]c34)cc2N1
InChIInChI=1S/C25H18N6O4S.C25H22N6O4.C24H20N6O4.C23H21N7O4.C22H18N6O4S.C20H17ClFN7O.C18H16N6O4.C18H17N5O3.C18H15N5O3.C17H13F2N5O4.C17H14N6O4.C17H15N5O4.11CH4/c32-20-11-35-17-6-5-13(7-15(17)30-20)9-27-25(34)23-22-21(28-12-29-23)16(10-26-22)31-24(33)19-8-14-3-1-2-4-18(14)36-19;32-20(9-7-15-4-2-1-3-5-15)31-18-12-26-23-22(18)28-14-29-24(23)25(34)27-11-16-6-8-19-17(10-16)30-21(33)13-35-19;31-19(9-14-4-2-1-3-5-14)30-17-11-25-22-21(17)27-13-28-23(22)24(33)26-10-15-6-7-18-16(8-15)29-20(32)12-34-18;1-11(31)29-15-8-25-18-17(15)27-10-28-19(18)23(34)26-7-12-2-3-13-4-5-30(9-14(13)6-12)20-16(24)21(32)22(20)33;29-17(7-13-2-1-5-33-13)28-15-9-23-20-19(15)25-11-26-21(20)22(31)24-8-12-3-4-16-14(6-12)27-18(30)10-32-16;1-29-6-4-12(5-7-29)9-23-19-17-16(27-28-19)18(26-11-25-17)20(30)24-10-13-2-3-15(22)14(21)8-13;1-9(25)23-11-7-19-15-14(11)21-8-22-16(15)17(26)20-6-10-3-4-13-12(5-10)24(2)18(27)28-13;2*1-10(24)23-13-8-19-16-15(13)21-9-22-17(16)18(25)20-7-11-2-3-14-12(6-11)4-5-26-14;1-8(25)24-10-6-20-14-13(10)22-7-23-15(14)16(26)21-5-9-2-3-11-12(4-9)28-17(18,19)27-11;1-8(24)22-11-6-18-14-13(11)20-7-21-15(14)16(25)19-5-9-2-3-12-10(4-9)23-17(26)27-12;1-9(23)22-11-6-18-15-14(11)20-7-21-16(15)17(24)19-5-10-2-3-12-13(4-10)26-8-25-12;;;;;;;;;;;/h1-8,10,12,26H,9,11H2,(H,27,34)(H,30,32)(H,31,33);1-6,8,10,12,14,26H,7,9,11,13H2,(H,27,34)(H,30,33)(H,31,32);1-8,11,13,25H,9-10,12H2,(H,26,33)(H,29,32)(H,30,31);2-3,6,8,10,25H,4-5,7,9,24H2,1H3,(H,26,34)(H,29,31);1-6,9,11,23H,7-8,10H2,(H,24,31)(H,27,30)(H,28,29);2-8,11H,9-10H2,1H3,(H2-,23,24,25,26,27,28,30);3-5,7-8,19H,6H2,1-2H3,(H,20,26)(H,23,25);2-3,6,8-9,19H,4-5,7H2,1H3,(H,20,25)(H,23,24);2-6,8-9,19H,7H2,1H3,(H,20,25)(H,23,24);2-4,6-7,20H,5H2,1H3,(H,21,26)(H,24,25);2-4,6-7,18H,5H2,1H3,(H,19,25)(H,22,24)(H,23,26);2-4,6-7,18H,5,8H2,1H3,(H,19,24)(H,22,23);11*1H4/p+1
InChIKeyUKWZVAGXUMYQJG-UHFFFAOYSA-O
XLogP32.12
TPSA1554.09 Ų
H-Bond Donors42
H-Bond Acceptors74
Rotatable Bonds59
Heavy Atoms374
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005140.84
LogP ≤ 532.12
H-Bond Donors ≤ 542
H-Bond Acceptors ≤ 1074

Analyze 7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 161120590) is 7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is C.C.C.C.C.C.C.C.C.C.C.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CCO4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CN(c3c(N)c(=O)c3=O)CC4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)OC(F)(F)O4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)OCO4)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4oc(=O)[nH]c4c3)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4oc(=O)n(C)c4c3)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4occc4c3)ncnc12.C[n+]1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)CCc5ccccc5)c[nH]c34)cc2N1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5ccccc5)c[nH]c34)cc2N1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5cccs5)c[nH]c34)cc2N1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5cc6ccccc6s5)c[nH]c34)cc2N1.
What is the InChIKey of 7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is UKWZVAGXUMYQJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H18N6O4S.C25H22N6O4.C24H20N6O4.C23H21N7O4.C22H18N6O4S.C20H17ClFN7O.C18H16N6O4.C18H17N5O3.C18H15N5O3.C17H13F2N5O4.C17H14N6O4.C17H15N5O4.11CH4/c32-20-11-35-17-6-5-13(7-15(17)30-20)9-27-25(34)23-22-21(28-12-29-23)16(10-26-22)31-24(33)19-8-14-3-1-2-4-18(14)36-19;32-20(9-7-15-4-2-1-3-5-15)31-18-12-26-23-22(18)28-14-29-24(23)25(34)27-11-16-6-8-19-17(10-16)30-21(33)13-35-19;31-19(9-14-4-2-1-3-5-14)30-17-11-25-22-21(17)27-13-28-23(22)24(33)26-10-15-6-7-18-16(8-15)29-20(32)12-34-18;1-11(31)29-15-8-25-18-17(15)27-10-28-19(18)23(34)26-7-12-2-3-13-4-5-30(9-14(13)6-12)20-16(24)21(32)22(20)33;29-17(7-13-2-1-5-33-13)28-15-9-23-20-19(15)25-11-26-21(20)22(31)24-8-12-3-4-16-14(6-12)27-18(30)10-32-16;1-29-6-4-12(5-7-29)9-23-19-17-16(27-28-19)18(26-11-25-17)20(30)24-10-13-2-3-15(22)14(21)8-13;1-9(25)23-11-7-19-15-14(11)21-8-22-16(15)17(26)20-6-10-3-4-13-12(5-10)24(2)18(27)28-13;2*1-10(24)23-13-8-19-16-15(13)21-9-22-17(16)18(25)20-7-11-2-3-14-12(6-11)4-5-26-14;1-8(25)24-10-6-20-14-13(10)22-7-23-15(14)16(26)21-5-9-2-3-11-12(4-9)28-17(18,19)27-11;1-8(24)22-11-6-18-14-13(11)20-7-21-15(14)16(25)19-5-9-2-3-12-10(4-9)23-17(26)27-12;1-9(23)22-11-6-18-15-14(11)20-7-21-16(15)17(24)19-5-10-2-3-12-13(4-10)26-8-25-12;;;;;;;;;;;/h1-8,10,12,26H,9,11H2,(H,27,34)(H,30,32)(H,31,33);1-6,8,10,12,14,26H,7,9,11,13H2,(H,27,34)(H,30,33)(H,31,32);1-8,11,13,25H,9-10,12H2,(H,26,33)(H,29,32)(H,30,31);2-3,6,8,10,25H,4-5,7,9,24H2,1H3,(H,26,34)(H,29,31);1-6,9,11,23H,7-8,10H2,(H,24,31)(H,27,30)(H,28,29);2-8,11H,9-10H2,1H3,(H2-,23,24,25,26,27,28,30);3-5,7-8,19H,6H2,1-2H3,(H,20,26)(H,23,25);2-3,6,8-9,19H,4-5,7H2,1H3,(H,20,25)(H,23,24);2-6,8-9,19H,7H2,1H3,(H,20,25)(H,23,24);2-4,6-7,20H,5H2,1H3,(H,21,26)(H,24,25);2-4,6-7,18H,5H2,1H3,(H,19,25)(H,22,24)(H,23,26);2-4,6-7,18H,5,8H2,1H3,(H,19,24)(H,22,23);11*1H4/p+1.
What are the key properties of 7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 5140.84 g/mol, XLogP of 32.12, 59 rotatable bonds, 42 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(1-methylpyridin-1-ium-4-yl)methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;methane;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(3-phenylpropanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 161120590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).