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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C229H200F2N58O43S2 — CID 157057438

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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)O4)ncnc12.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)n(C)c4c3)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4occc4c3)ncnc12.CC(C)(C)CC(=O)CCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5ccccc5)c[nH]c34)cc2C1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5cccs5)c[nH]c34)cc2C1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5cc6ccccc6s5)c[nH]c34)cc2C1
InChIInChI=1S/C26H29N5O5.C26H19N5O4S.C25H21N5O4.C23H21N7O4.C23H19N5O4S.C18H16N6O4.C18H15N5O4.C18H17N5O3.C18H15N5O3.C17H13F2N5O4.C17H15N5O4/c1-26(2,3)10-17(32)5-7-21(34)31-19-12-27-23-22(19)29-14-30-24(23)25(35)28-11-15-4-6-20-16(8-15)9-18(33)13-36-20;32-17-8-16-7-14(5-6-19(16)35-12-17)10-28-26(34)24-23-22(29-13-30-24)18(11-27-23)31-25(33)21-9-15-3-1-2-4-20(15)36-21;31-18-10-17-8-16(6-7-20(17)34-13-18)11-27-25(33)24-23-22(28-14-29-24)19(12-26-23)30-21(32)9-15-4-2-1-3-5-15;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;29-15-7-14-6-13(3-4-18(14)32-11-15)9-25-23(31)22-21-20(26-12-27-22)17(10-24-21)28-19(30)8-16-2-1-5-33-16;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;1-9(24)23-12-7-19-16-15(12)21-8-22-17(16)18(26)20-6-10-2-3-13-11(4-10)5-14(25)27-13;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;1-9(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/h4,6,8,12,14,27H,5,7,9-11,13H2,1-3H3,(H,28,35)(H,31,34);1-7,9,11,13,27H,8,10,12H2,(H,28,34)(H,31,33);1-8,12,14,26H,9-11,13H2,(H,27,33)(H,30,32);2-3,6,8,10,25H,4-5,7,9,24H2,1H3,(H,26,34)(H,29,31);1-6,10,12,24H,7-9,11H2,(H,25,31)(H,28,30);3-5,7-8,19H,6H2,1-2H3,(H,20,26)(H,23,25);2-4,7-8,19H,5-6H2,1H3,(H,20,26)(H,23,24);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,5,8H2,1H3,(H,19,24)(H,22,23)
InChIKeyAAXRXPBQPACHJX-UHFFFAOYSA-N
MW4554.61 g/mol
LogP23.49
Rot. Bonds54

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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 157057438) has the molecular formula C229H200F2N58O43S2 and a molecular weight of 4554.61 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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID157057438
Molecular FormulaC229H200F2N58O43S2
Molecular Weight4554.61 g/mol
Exact Mass4551.47
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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)O4)ncnc12.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)n(C)c4c3)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4occc4c3)ncnc12.CC(C)(C)CC(=O)CCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5ccccc5)c[nH]c34)cc2C1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5cccs5)c[nH]c34)cc2C1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5cc6ccccc6s5)c[nH]c34)cc2C1
InChIInChI=1S/C26H29N5O5.C26H19N5O4S.C25H21N5O4.C23H21N7O4.C23H19N5O4S.C18H16N6O4.C18H15N5O4.C18H17N5O3.C18H15N5O3.C17H13F2N5O4.C17H15N5O4/c1-26(2,3)10-17(32)5-7-21(34)31-19-12-27-23-22(19)29-14-30-24(23)25(35)28-11-15-4-6-20-16(8-15)9-18(33)13-36-20;32-17-8-16-7-14(5-6-19(16)35-12-17)10-28-26(34)24-23-22(29-13-30-24)18(11-27-23)31-25(33)21-9-15-3-1-2-4-20(15)36-21;31-18-10-17-8-16(6-7-20(17)34-13-18)11-27-25(33)24-23-22(28-14-29-24)19(12-26-23)30-21(32)9-15-4-2-1-3-5-15;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;29-15-7-14-6-13(3-4-18(14)32-11-15)9-25-23(31)22-21-20(26-12-27-22)17(10-24-21)28-19(30)8-16-2-1-5-33-16;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;1-9(24)23-12-7-19-16-15(12)21-8-22-17(16)18(26)20-6-10-2-3-13-11(4-10)5-14(25)27-13;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;1-9(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/h4,6,8,12,14,27H,5,7,9-11,13H2,1-3H3,(H,28,35)(H,31,34);1-7,9,11,13,27H,8,10,12H2,(H,28,34)(H,31,33);1-8,12,14,26H,9-11,13H2,(H,27,33)(H,30,32);2-3,6,8,10,25H,4-5,7,9,24H2,1H3,(H,26,34)(H,29,31);1-6,10,12,24H,7-9,11H2,(H,25,31)(H,28,30);3-5,7-8,19H,6H2,1-2H3,(H,20,26)(H,23,25);2-4,7-8,19H,5-6H2,1H3,(H,20,26)(H,23,24);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,5,8H2,1H3,(H,19,24)(H,22,23)
InChIKeyAAXRXPBQPACHJX-UHFFFAOYSA-N
XLogP23.49
TPSA1403.87 Ų
H-Bond Donors34
H-Bond Acceptors70
Rotatable Bonds54
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004554.61
LogP ≤ 523.49
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1070

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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 157057438) 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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)O4)ncnc12.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)n(C)c4c3)ncnc12.CC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4occc4c3)ncnc12.CC(C)(C)CC(=O)CCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5ccccc5)c[nH]c34)cc2C1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5cccs5)c[nH]c34)cc2C1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5cc6ccccc6s5)c[nH]c34)cc2C1.
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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is AAXRXPBQPACHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5.C26H19N5O4S.C25H21N5O4.C23H21N7O4.C23H19N5O4S.C18H16N6O4.C18H15N5O4.C18H17N5O3.C18H15N5O3.C17H13F2N5O4.C17H15N5O4/c1-26(2,3)10-17(32)5-7-21(34)31-19-12-27-23-22(19)29-14-30-24(23)25(35)28-11-15-4-6-20-16(8-15)9-18(33)13-36-20;32-17-8-16-7-14(5-6-19(16)35-12-17)10-28-26(34)24-23-22(29-13-30-24)18(11-27-23)31-25(33)21-9-15-3-1-2-4-20(15)36-21;31-18-10-17-8-16(6-7-20(17)34-13-18)11-27-25(33)24-23-22(28-14-29-24)19(12-26-23)30-21(32)9-15-4-2-1-3-5-15;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;29-15-7-14-6-13(3-4-18(14)32-11-15)9-25-23(31)22-21-20(26-12-27-22)17(10-24-21)28-19(30)8-16-2-1-5-33-16;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;1-9(24)23-12-7-19-16-15(12)21-8-22-17(16)18(26)20-6-10-2-3-13-11(4-10)5-14(25)27-13;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;1-9(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/h4,6,8,12,14,27H,5,7,9-11,13H2,1-3H3,(H,28,35)(H,31,34);1-7,9,11,13,27H,8,10,12H2,(H,28,34)(H,31,33);1-8,12,14,26H,9-11,13H2,(H,27,33)(H,30,32);2-3,6,8,10,25H,4-5,7,9,24H2,1H3,(H,26,34)(H,29,31);1-6,10,12,24H,7-9,11H2,(H,25,31)(H,28,30);3-5,7-8,19H,6H2,1-2H3,(H,20,26)(H,23,25);2-4,7-8,19H,5-6H2,1H3,(H,20,26)(H,23,24);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,5,8H2,1H3,(H,19,24)(H,22,23).
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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 4554.61 g/mol, XLogP of 23.49, 54 rotatable bonds, 34 hydrogen bond donors, and 70 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-benzofuran-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[(6,6-dimethyl-4-oxoheptanoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-phenylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2-thiophen-2-ylacetyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 157057438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).