7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide

C210H191Cl4F9N54O25S5 — CID 157268887

IUPAC7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide
SMILESCC(=O)C12CCC(CNc3nn(C)c4c(C(=O)NCc5ccc(F)c(Cl)c5)ncnc34)(CC1)CC2.CC(=O)c1ccc(C(=O)Nc2cn(C)c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)cc1.CC(=O)c1ccc(CNc2c[nH]c3c(C(=O)NCc4ccc5oc(=O)n(C)c5c4)ncnc23)s1.CC(=O)c1ccc(CNc2c[nH]c3c(C(=O)NCc4ccnc(C(F)(F)F)c4)ncnc23)s1.CC(=O)c1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(C)c4)ncnc23)s1.CC(=O)c1ccc(CNc2nn(C)c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)s1.CC(=O)c1ccc(CNc2nn(C)c3c(C(=O)NCc4ccnc(C(F)(F)F)c4)ncnc23)s1.Cc1ccc(CNC(=O)c2ncnc3c(NC(C)c4ccc5c(c4)CC(=O)CO5)nn(C)c23)cc1Cl.Cc1ccc(CNC(=O)c2ncnc3c(NCc4ccc5c(c4)CC(=O)CO5)nn(C)c23)cc1Cl
InChIInChI=1S/C27H23N5O5.C26H25ClN6O3.C25H28ClFN6O2.C25H23ClN6O3.C23H20N6O4S.C21H18ClFN6O2S.C21H18F3N7O2S.C21H17F3N6O2S.C21H19FN6O2S/c1-15(33)17-4-6-18(7-5-17)26(35)31-21-12-32(2)25-23(21)29-14-30-24(25)27(36)28-11-16-3-8-22-19(9-16)10-20(34)13-37-22;1-14-4-5-16(8-20(14)27)11-28-26(35)23-24-22(29-13-30-23)25(32-33(24)3)31-15(2)17-6-7-21-18(9-17)10-19(34)12-36-21;1-15(34)25-8-5-24(6-9-25,7-10-25)13-29-22-19-21(33(2)32-22)20(31-14-30-19)23(35)28-12-16-3-4-18(27)17(26)11-16;1-14-3-4-16(8-19(14)26)11-28-25(34)22-23-21(29-13-30-22)24(31-32(23)2)27-10-15-5-6-20-17(7-15)9-18(33)12-35-20;1-12(30)18-6-4-14(34-18)9-24-15-10-25-20-19(15)27-11-28-21(20)22(31)26-8-13-3-5-17-16(7-13)29(2)23(32)33-17;1-11(30)16-6-4-13(32-16)9-24-20-17-19(29(2)28-20)18(27-10-26-17)21(31)25-8-12-3-5-15(23)14(22)7-12;1-11(32)14-4-3-13(34-14)9-26-19-16-18(31(2)30-19)17(29-10-28-16)20(33)27-8-12-5-6-25-15(7-12)21(22,23)24;1-11(31)15-3-2-13(33-15)8-26-14-9-27-18-17(14)29-10-30-19(18)20(32)28-7-12-4-5-25-16(6-12)21(22,23)24;1-11-7-13(3-5-15(11)22)8-24-21(30)19-17-18(25-10-26-19)20(28-27-17)23-9-14-4-6-16(31-14)12(2)29/h3-9,12,14H,10-11,13H2,1-2H3,(H,28,36)(H,31,35);4-9,13,15H,10-12H2,1-3H3,(H,28,35)(H,31,32);3-4,11,14H,5-10,12-13H2,1-2H3,(H,28,35)(H,29,32);3-8,13H,9-12H2,1-2H3,(H,27,31)(H,28,34);3-7,10-11,24-25H,8-9H2,1-2H3,(H,26,31);3-7,10H,8-9H2,1-2H3,(H,24,28)(H,25,31);3-7,10H,8-9H2,1-2H3,(H,26,30)(H,27,33);2-6,9-10,26-27H,7-8H2,1H3,(H,28,32);3-7,10H,8-9H2,1-2H3,(H,24,30)(H2,23,27,28)
InChIKeyAYHQYLZIUVIXOV-UHFFFAOYSA-N
MW4344.32 g/mol
LogP33.13
Rot. Bonds60

About 7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide

7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide (PubChem CID 157268887) has the molecular formula C210H191Cl4F9N54O25S5 and a molecular weight of 4344.32 g/mol. Its IUPAC name is 7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide
PubChem CID157268887
Molecular FormulaC210H191Cl4F9N54O25S5
Molecular Weight4344.32 g/mol
Exact Mass4339.25
IUPAC Name7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide
SMILESCC(=O)C12CCC(CNc3nn(C)c4c(C(=O)NCc5ccc(F)c(Cl)c5)ncnc34)(CC1)CC2.CC(=O)c1ccc(C(=O)Nc2cn(C)c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)cc1.CC(=O)c1ccc(CNc2c[nH]c3c(C(=O)NCc4ccc5oc(=O)n(C)c5c4)ncnc23)s1.CC(=O)c1ccc(CNc2c[nH]c3c(C(=O)NCc4ccnc(C(F)(F)F)c4)ncnc23)s1.CC(=O)c1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(C)c4)ncnc23)s1.CC(=O)c1ccc(CNc2nn(C)c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)s1.CC(=O)c1ccc(CNc2nn(C)c3c(C(=O)NCc4ccnc(C(F)(F)F)c4)ncnc23)s1.Cc1ccc(CNC(=O)c2ncnc3c(NC(C)c4ccc5c(c4)CC(=O)CO5)nn(C)c23)cc1Cl.Cc1ccc(CNC(=O)c2ncnc3c(NCc4ccc5c(c4)CC(=O)CO5)nn(C)c23)cc1Cl
InChIInChI=1S/C27H23N5O5.C26H25ClN6O3.C25H28ClFN6O2.C25H23ClN6O3.C23H20N6O4S.C21H18ClFN6O2S.C21H18F3N7O2S.C21H17F3N6O2S.C21H19FN6O2S/c1-15(33)17-4-6-18(7-5-17)26(35)31-21-12-32(2)25-23(21)29-14-30-24(25)27(36)28-11-16-3-8-22-19(9-16)10-20(34)13-37-22;1-14-4-5-16(8-20(14)27)11-28-26(35)23-24-22(29-13-30-23)25(32-33(24)3)31-15(2)17-6-7-21-18(9-17)10-19(34)12-36-21;1-15(34)25-8-5-24(6-9-25,7-10-25)13-29-22-19-21(33(2)32-22)20(31-14-30-19)23(35)28-12-16-3-4-18(27)17(26)11-16;1-14-3-4-16(8-19(14)26)11-28-25(34)22-23-21(29-13-30-22)24(31-32(23)2)27-10-15-5-6-20-17(7-15)9-18(33)12-35-20;1-12(30)18-6-4-14(34-18)9-24-15-10-25-20-19(15)27-11-28-21(20)22(31)26-8-13-3-5-17-16(7-13)29(2)23(32)33-17;1-11(30)16-6-4-13(32-16)9-24-20-17-19(29(2)28-20)18(27-10-26-17)21(31)25-8-12-3-5-15(23)14(22)7-12;1-11(32)14-4-3-13(34-14)9-26-19-16-18(31(2)30-19)17(29-10-28-16)20(33)27-8-12-5-6-25-15(7-12)21(22,23)24;1-11(31)15-3-2-13(33-15)8-26-14-9-27-18-17(14)29-10-30-19(18)20(32)28-7-12-4-5-25-16(6-12)21(22,23)24;1-11-7-13(3-5-15(11)22)8-24-21(30)19-17-18(25-10-26-19)20(28-27-17)23-9-14-4-6-16(31-14)12(2)29/h3-9,12,14H,10-11,13H2,1-2H3,(H,28,36)(H,31,35);4-9,13,15H,10-12H2,1-3H3,(H,28,35)(H,31,32);3-4,11,14H,5-10,12-13H2,1-2H3,(H,28,35)(H,29,32);3-8,13H,9-12H2,1-2H3,(H,27,31)(H,28,34);3-7,10-11,24-25H,8-9H2,1-2H3,(H,26,31);3-7,10H,8-9H2,1-2H3,(H,24,28)(H,25,31);3-7,10H,8-9H2,1-2H3,(H,26,30)(H,27,33);2-6,9-10,26-27H,7-8H2,1H3,(H,28,32);3-7,10H,8-9H2,1-2H3,(H,24,30)(H2,23,27,28)
InChIKeyAYHQYLZIUVIXOV-UHFFFAOYSA-N
XLogP33.13
TPSA1032.86 Ų
H-Bond Donors21
H-Bond Acceptors71
Rotatable Bonds60
Heavy Atoms307
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004344.32
LogP ≤ 533.13
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1071

Analyze 7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-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-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide?
The IUPAC name of 7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide (CID 157268887) is 7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide?
The canonical SMILES for 7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide is CC(=O)C12CCC(CNc3nn(C)c4c(C(=O)NCc5ccc(F)c(Cl)c5)ncnc34)(CC1)CC2.CC(=O)c1ccc(C(=O)Nc2cn(C)c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)cc1.CC(=O)c1ccc(CNc2c[nH]c3c(C(=O)NCc4ccc5oc(=O)n(C)c5c4)ncnc23)s1.CC(=O)c1ccc(CNc2c[nH]c3c(C(=O)NCc4ccnc(C(F)(F)F)c4)ncnc23)s1.CC(=O)c1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(C)c4)ncnc23)s1.CC(=O)c1ccc(CNc2nn(C)c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)s1.CC(=O)c1ccc(CNc2nn(C)c3c(C(=O)NCc4ccnc(C(F)(F)F)c4)ncnc23)s1.Cc1ccc(CNC(=O)c2ncnc3c(NC(C)c4ccc5c(c4)CC(=O)CO5)nn(C)c23)cc1Cl.Cc1ccc(CNC(=O)c2ncnc3c(NCc4ccc5c(c4)CC(=O)CO5)nn(C)c23)cc1Cl.
What is the InChIKey of 7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide?
The InChIKey is AYHQYLZIUVIXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O5.C26H25ClN6O3.C25H28ClFN6O2.C25H23ClN6O3.C23H20N6O4S.C21H18ClFN6O2S.C21H18F3N7O2S.C21H17F3N6O2S.C21H19FN6O2S/c1-15(33)17-4-6-18(7-5-17)26(35)31-21-12-32(2)25-23(21)29-14-30-24(25)27(36)28-11-16-3-8-22-19(9-16)10-20(34)13-37-22;1-14-4-5-16(8-20(14)27)11-28-26(35)23-24-22(29-13-30-23)25(32-33(24)3)31-15(2)17-6-7-21-18(9-17)10-19(34)12-36-21;1-15(34)25-8-5-24(6-9-25,7-10-25)13-29-22-19-21(33(2)32-22)20(31-14-30-19)23(35)28-12-16-3-4-18(27)17(26)11-16;1-14-3-4-16(8-19(14)26)11-28-25(34)22-23-21(29-13-30-22)24(31-32(23)2)27-10-15-5-6-20-17(7-15)9-18(33)12-35-20;1-12(30)18-6-4-14(34-18)9-24-15-10-25-20-19(15)27-11-28-21(20)22(31)26-8-13-3-5-17-16(7-13)29(2)23(32)33-17;1-11(30)16-6-4-13(32-16)9-24-20-17-19(29(2)28-20)18(27-10-26-17)21(31)25-8-12-3-5-15(23)14(22)7-12;1-11(32)14-4-3-13(34-14)9-26-19-16-18(31(2)30-19)17(29-10-28-16)20(33)27-8-12-5-6-25-15(7-12)21(22,23)24;1-11(31)15-3-2-13(33-15)8-26-14-9-27-18-17(14)29-10-30-19(18)20(32)28-7-12-4-5-25-16(6-12)21(22,23)24;1-11-7-13(3-5-15(11)22)8-24-21(30)19-17-18(25-10-26-19)20(28-27-17)23-9-14-4-6-16(31-14)12(2)29/h3-9,12,14H,10-11,13H2,1-2H3,(H,28,36)(H,31,35);4-9,13,15H,10-12H2,1-3H3,(H,28,35)(H,31,32);3-4,11,14H,5-10,12-13H2,1-2H3,(H,28,35)(H,29,32);3-8,13H,9-12H2,1-2H3,(H,27,31)(H,28,34);3-7,10-11,24-25H,8-9H2,1-2H3,(H,26,31);3-7,10H,8-9H2,1-2H3,(H,24,28)(H,25,31);3-7,10H,8-9H2,1-2H3,(H,26,30)(H,27,33);2-6,9-10,26-27H,7-8H2,1H3,(H,28,32);3-7,10H,8-9H2,1-2H3,(H,24,30)(H2,23,27,28).
What are the key properties of 7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide?
7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide has a molecular weight of 4344.32 g/mol, XLogP of 33.13, 60 rotatable bonds, 21 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-acetylbenzoyl)amino]-5-methyl-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-chloro-4-fluorophenyl)methyl]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-[(5-acetylthiophen-2-yl)methylamino]-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;7-[(5-acetylthiophen-2-yl)methylamino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[1-(3-oxo-4H-chromen-6-yl)ethylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-methylphenyl)methyl]-1-methyl-3-[(3-oxo-4H-chromen-6-yl)methylamino]pyrazolo[4,5-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 157268887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).