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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide

C152H138F2N46O31 — CID 158190768

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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide
SMILESCC(=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.CC(C)(C)NC(=O)CCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)NC(=O)CO4)ncnc12
InChIInChI=1S/C24H27N7O5.C23H21N7O4.C18H16N6O4.C18H17N5O3.C18H15N5O3.C17H13F2N5O4.C17H14N6O4.C17H15N5O4/c1-24(2,3)31-18(33)7-6-17(32)30-15-10-25-21-20(15)27-12-28-22(21)23(35)26-9-13-4-5-16-14(8-13)29-19(34)11-36-16;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;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/h4-5,8,10,12,25H,6-7,9,11H2,1-3H3,(H,26,35)(H,29,34)(H,30,32)(H,31,33);2-3,6,8,10,25H,4-5,7,9,24H2,1H3,(H,26,34)(H,29,31);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)
InChIKeyFZSLYIUDCJGFAX-UHFFFAOYSA-N
MW3143.06 g/mol
LogP13.13
Rot. Bonds36

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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide

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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide (PubChem CID 158190768) has the molecular formula C152H138F2N46O31 and a molecular weight of 3143.06 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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide.

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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide
PubChem CID158190768
Molecular FormulaC152H138F2N46O31
Molecular Weight3143.06 g/mol
Exact Mass3141.06
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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide
SMILESCC(=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.CC(C)(C)NC(=O)CCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)NC(=O)CO4)ncnc12
InChIInChI=1S/C24H27N7O5.C23H21N7O4.C18H16N6O4.C18H17N5O3.C18H15N5O3.C17H13F2N5O4.C17H14N6O4.C17H15N5O4/c1-24(2,3)31-18(33)7-6-17(32)30-15-10-25-21-20(15)27-12-28-22(21)23(35)26-9-13-4-5-16-14(8-13)29-19(34)11-36-16;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;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/h4-5,8,10,12,25H,6-7,9,11H2,1-3H3,(H,26,35)(H,29,34)(H,30,32)(H,31,33);2-3,6,8,10,25H,4-5,7,9,24H2,1H3,(H,26,34)(H,29,31);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)
InChIKeyFZSLYIUDCJGFAX-UHFFFAOYSA-N
XLogP13.13
TPSA1069.42 Ų
H-Bond Donors28
H-Bond Acceptors50
Rotatable Bonds36
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003143.06
LogP ≤ 513.13
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide with MolForge

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Related Compounds

CID 157057438
CID 157057438
CID 157861040
CID 157861040
CID 157931809
CID 157931809
CID 157952170
CID 157952170
CID 158191631
CID 158191631
CID 158394736
CID 158394736
bis(7-(butanoylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 158429568
ethyl 9-ethyl-2-methyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate;5-methoxy-2,3-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indole;6-methoxy-3-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one;4-methyl-2-(2-methylphenyl)-6-piperazin-1-ylpyrimidine;24-methyl-5,18,20-trioxahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2(10),3,8,14(22),15,17(21)-hexaen-12-ol;N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide;2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one
CID 158586768
CID 159263885
CID 159263885
4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1,3-oxazol-4-yl)pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1,3-oxazol-5-yl)pentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1,3-oxazol-4-yl)pentan-1-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1,3-benzoxazol-2-one;N-[2-[2-(4-methylphenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]acetamide
CID 159801537
CID 159896348
CID 159896348
8-(1,1-difluoroethoxy)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;4-(dimethylamino)-2-methylisoindole-1,3-dione;ethyl 9-ethyl-2-methyl-4,9a-dihydro-3aH-furo[3,2-b]quinoxaline-3-carboxylate;5-methoxy-2,3-dimethyl-1-[2-(6-methyl-3-pyridinyl)ethyl]indole;6-methoxy-3-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one;4-methyl-2-(2-methylphenyl)-6-piperazin-1-ylpyrimidine;24-methyl-5,18,20-trioxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2(10),3,8,14(22),15,17(21)-hexaen-12-ol;N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide;2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one
CID 160223828

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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide?
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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide (CID 158190768) 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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide.
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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide?
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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide is 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.CC(C)(C)NC(=O)CCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)NC(=O)CO4)ncnc12.
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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide?
The InChIKey is FZSLYIUDCJGFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O5.C23H21N7O4.C18H16N6O4.C18H17N5O3.C18H15N5O3.C17H13F2N5O4.C17H14N6O4.C17H15N5O4/c1-24(2,3)31-18(33)7-6-17(32)30-15-10-25-21-20(15)27-12-28-22(21)23(35)26-9-13-4-5-16-14(8-13)29-19(34)11-36-16;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;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/h4-5,8,10,12,25H,6-7,9,11H2,1-3H3,(H,26,35)(H,29,34)(H,30,32)(H,31,33);2-3,6,8,10,25H,4-5,7,9,24H2,1H3,(H,26,34)(H,29,31);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).
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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide?
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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide has a molecular weight of 3143.06 g/mol, XLogP of 13.13, 36 rotatable bonds, 28 hydrogen bond donors, and 50 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;N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide is sourced from PubChem (CID 158190768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).