bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C179H176ClF4N41O26S2 — CID 157219350

About bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 157219350) has the molecular formula C179H176ClF4N41O26S2 and a molecular weight of 3493.22 g/mol. Its IUPAC name is bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
• PubChem CID: 157219350
• Molecular Formula: C179H176ClF4N41O26S2
• Molecular Weight: 3493.22 g/mol
• Exact Mass: 3490.28
• IUPAC Name: bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
• SMILES: C=C(O)C12CCC(CNc3c4ncnc(C(=O)NCc5ccc(F)c(Cl)c5)c4nn3C)(CC1)CC2.C=C(O)C12CCC(CNc3c[nH]c4c(C(=O)NCc5ccc(F)c(C)c5)ncnc34)(CC1)CC2.C=C(O)C12CCC(CNc3nn(C)c4c(C(=O)NCc5ccc(F)c(C)c5)ncnc34)(CC1)CC2.CC(=O)c1ccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)NC(=O)CO5)ncnc23)cc1.CC(=O)c1ccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)NC(=O)CO5)ncnc23)cc1.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2Nc1c2ncnc(C(=O)NCc3ccc(F)c(C)c3)c2nn1C.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2Nc1cn(C)c2c(C(=O)NCc3ccc4c(c3)NC(=O)CO4)ncnc12
• InChI: InChI=1S/C27H24N6O6S.C26H31FN6O2.C26H30FN5O2.C25H28ClFN6O2.C25H23FN6O4S.2C25H20N6O5/c1-14(34)16-4-5-17-20(12-40(37,38)22(17)8-16)31-19-10-33(2)26-24(19)29-13-30-25(26)27(36)28-9-15-3-6-21-18(7-15)32-23(35)11-39-21;1-16-12-18(4-5-19(16)27)13-28-24(35)21-22-20(30-15-31-21)23(32-33(22)3)29-14-25-6-9-26(10-7-25,11-8-25)17(2)34;1-16-11-18(3-4-19(16)27)12-29-24(34)23-22-21(31-15-32-23)20(13-28-22)30-14-25-5-8-26(9-6-25,10-7-25)17(2)33;1-15(34)25-8-5-24(6-9-25,7-10-25)13-29-22-20-19(32-33(22)2)21(31-14-30-20)23(35)28-12-16-3-4-18(27)17(26)11-16;1-13-8-15(4-7-18(13)26)10-27-25(34)23-21-22(28-12-29-23)24(32(3)31-21)30-19-11-37(35,36)20-9-16(14(2)33)5-6-17(19)20;2*1-13(32)15-3-5-16(6-4-15)24(34)31-18-10-26-22-21(18)28-12-29-23(22)25(35)27-9-14-2-7-19-17(8-14)30-20(33)11-36-19/h3-8,10,13,20,31H,9,11-12H2,1-2H3,(H,28,36)(H,32,35);4-5,12,15,34H,2,6-11,13-14H2,1,3H3,(H,28,35)(H,29,32);3-4,11,13,15,28,30,33H,2,5-10,12,14H2,1H3,(H,29,34);3-4,11,14,29,34H,1,5-10,12-13H2,2H3,(H,28,35);4-9,12,19,30H,10-11H2,1-3H3,(H,27,34);2*2-8,10,12,26H,9,11H2,1H3,(H,27,35)(H,30,33)(H,31,34)
• InChIKey: ASUKGLMZVFTBGZ-UHFFFAOYSA-N
• XLogP: 25.24
• TPSA: 920.51 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 52
• Rotatable Bonds: 45
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3493.22
LogP ≤ 5	25.24
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?

The IUPAC name of bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 157219350) is bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

What is the SMILES notation for bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?

The canonical SMILES for bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is C=C(O)C12CCC(CNc3c4ncnc(C(=O)NCc5ccc(F)c(Cl)c5)c4nn3C)(CC1)CC2.C=C(O)C12CCC(CNc3c[nH]c4c(C(=O)NCc5ccc(F)c(C)c5)ncnc34)(CC1)CC2.C=C(O)C12CCC(CNc3nn(C)c4c(C(=O)NCc5ccc(F)c(C)c5)ncnc34)(CC1)CC2.CC(=O)c1ccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)NC(=O)CO5)ncnc23)cc1.CC(=O)c1ccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)NC(=O)CO5)ncnc23)cc1.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2Nc1c2ncnc(C(=O)NCc3ccc(F)c(C)c3)c2nn1C.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2Nc1cn(C)c2c(C(=O)NCc3ccc4c(c3)NC(=O)CO4)ncnc12.

What is the InChIKey of bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?

The InChIKey is ASUKGLMZVFTBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O6S.C26H31FN6O2.C26H30FN5O2.C25H28ClFN6O2.C25H23FN6O4S.2C25H20N6O5/c1-14(34)16-4-5-17-20(12-40(37,38)22(17)8-16)31-19-10-33(2)26-24(19)29-13-30-25(26)27(36)28-9-15-3-6-21-18(7-15)32-23(35)11-39-21;1-16-12-18(4-5-19(16)27)13-28-24(35)21-22-20(30-15-31-21)23(32-33(22)3)29-14-25-6-9-26(10-7-25,11-8-25)17(2)34;1-16-11-18(3-4-19(16)27)12-29-24(34)23-22-21(31-15-32-23)20(13-28-22)30-14-25-5-8-26(9-6-25,10-7-25)17(2)33;1-15(34)25-8-5-24(6-9-25,7-10-25)13-29-22-20-19(32-33(22)2)21(31-14-30-20)23(35)28-12-16-3-4-18(27)17(26)11-16;1-13-8-15(4-7-18(13)26)10-27-25(34)23-21-22(28-12-29-23)24(32(3)31-21)30-19-11-37(35,36)20-9-16(14(2)33)5-6-17(19)20;2*1-13(32)15-3-5-16(6-4-15)24(34)31-18-10-26-22-21(18)28-12-29-23(22)25(35)27-9-14-2-7-19-17(8-14)30-20(33)11-36-19/h3-8,10,13,20,31H,9,11-12H2,1-2H3,(H,28,36)(H,32,35);4-5,12,15,34H,2,6-11,13-14H2,1,3H3,(H,28,35)(H,29,32);3-4,11,13,15,28,30,33H,2,5-10,12,14H2,1H3,(H,29,34);3-4,11,14,29,34H,1,5-10,12-13H2,2H3,(H,28,35);4-9,12,19,30H,10-11H2,1-3H3,(H,27,34);2*2-8,10,12,26H,9,11H2,1H3,(H,27,35)(H,30,33)(H,31,34).

What are the key properties of bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?

bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 3493.22 g/mol, XLogP of 25.24, 45 rotatable bonds, 23 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);3-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-3-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-7-[[4-(1-hydroxyethenyl)-1-bicyclo[2.2.2]octanyl]methylamino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 157219350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).