8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one

C260H292Cl2N36O47S — CID 172949848

About 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one

8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 172949848) has the molecular formula C260H292Cl2N36O47S and a molecular weight of 4776.37 g/mol. Its IUPAC name is 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

• Compound Name: 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
• PubChem CID: 172949848
• Molecular Formula: C260H292Cl2N36O47S
• Molecular Weight: 4776.37 g/mol
• Exact Mass: 4772.07
• IUPAC Name: 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
• SMILES: CC(C)C(=O)c1c(C(C)C)nn2ccccc12.CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(CCN3CCN(C(c4ccccc4)c4ccccc4)CC3)nc21.CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O.CCCn1c(=O)c2c(C)nc(CC)n2c2nc(CC)ccc21.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COC(=O)N1CC(c2ccc(OC)c(OC3CCCC3)c2)C(C)(C(C)=O)C1.COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1.COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2cccnc12.COc1ccc(C2=NOC(C(=O)NO)C2)cc1OC1CCCC1.Cc1c(C)c(C(=O)Oc2c(C)c(O)c(C)c(C)c2Sc2c(C)c(C)c(O)c(C)c2OC(=O)c2c(C)c(C)c(O)c(C)c2O)c(O)c(C)c1O.Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1.O=c1c(-c2ccc(Oc3cc(-c4coc5cc(O)cc(O)c5c4=O)ccc3O)cc2)coc2cc(O)cc(O)c12.O=c1c2[nH]cnc2c2cccnc2n1-c1ccccc1
• InChI: InChI=1S/C38H42O10S.C30H18O10.C29H36N6O2.C21H29NO5.C20H25N3O.C17H22N4O.C16H11Cl2N3O2.C16H24N4O3.C16H20N2O5.C15H10N4O.C15H20N2O4.C14H18N2O.C13H17N5O2/c1-13-15(3)27(39)21(9)31(43)25(13)37(45)47-33-23(11)29(41)17(5)19(7)35(33)49-36-20(8)18(6)30(42)24(12)34(36)48-38(46)26-14(2)16(4)28(40)22(10)32(26)44;31-16-8-22(34)27-25(10-16)38-12-19(29(27)36)14-1-4-18(5-2-14)40-24-7-15(3-6-21(24)33)20-13-39-26-11-17(32)9-23(35)28(26)30(20)37;1-21(2)20-35-27-25(28(36)32(3)29(35)37)30-24(31-27)14-15-33-16-18-34(19-17-33)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23;1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16;1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-5-10-20-13-9-8-12(6-2)19-16(13)21-14(7-3)18-11(4)15(21)17(20)22;1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18;1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2;1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20;20-15-13-12(17-9-18-13)11-7-4-8-16-14(11)19(15)10-5-2-1-3-6-10;1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13;14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h39-44H,1-12H3;1-13,31-35H;4-13,21,26H,14-20H2,1-3H3,(H,30,31);9-11,16-17H,5-8,12-13H2,1-4H3;4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;8-9H,5-7,10H2,1-4H3;2-8H,1H3,(H,21,22);11H,4-10H2,1-3H3;6-8,11,15,20H,2-5,9H2,1H3,(H,17,19);1-9H,(H,17,18);7-9,12H,3-6H2,1-2H3,(H2,16,18);5-10H,1-4H3;7-8H,1-6H2,(H3,14,15,16)/b;;;;;;;;;;17-10+
• InChIKey: RXTUCMGQTZBKKF-XMGFXQSSSA-N
• XLogP: 43.97
• TPSA: 1091.49 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 76
• Rotatable Bonds: 59
• Heavy Atoms: 346
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4776.37
LogP ≤ 5	43.97
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	76

Frequently Asked Questions

What is the IUPAC name of 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?

The IUPAC name of 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one (CID 172949848) is 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one.

What is the SMILES notation for 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?

The canonical SMILES for 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one is CC(C)C(=O)c1c(C(C)C)nn2ccccc12.CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(CCN3CCN(C(c4ccccc4)c4ccccc4)CC3)nc21.CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O.CCCn1c(=O)c2c(C)nc(CC)n2c2nc(CC)ccc21.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COC(=O)N1CC(c2ccc(OC)c(OC3CCCC3)c2)C(C)(C(C)=O)C1.COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1.COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2cccnc12.COc1ccc(C2=NOC(C(=O)NO)C2)cc1OC1CCCC1.Cc1c(C)c(C(=O)Oc2c(C)c(O)c(C)c(C)c2Sc2c(C)c(C)c(O)c(C)c2OC(=O)c2c(C)c(C)c(O)c(C)c2O)c(O)c(C)c1O.Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1.O=c1c(-c2ccc(Oc3cc(-c4coc5cc(O)cc(O)c5c4=O)ccc3O)cc2)coc2cc(O)cc(O)c12.O=c1c2[nH]cnc2c2cccnc2n1-c1ccccc1.

What is the InChIKey of 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?

The InChIKey is RXTUCMGQTZBKKF-XMGFXQSSSA-N. The full InChI is InChI=1S/C38H42O10S.C30H18O10.C29H36N6O2.C21H29NO5.C20H25N3O.C17H22N4O.C16H11Cl2N3O2.C16H24N4O3.C16H20N2O5.C15H10N4O.C15H20N2O4.C14H18N2O.C13H17N5O2/c1-13-15(3)27(39)21(9)31(43)25(13)37(45)47-33-23(11)29(41)17(5)19(7)35(33)49-36-20(8)18(6)30(42)24(12)34(36)48-38(46)26-14(2)16(4)28(40)22(10)32(26)44;31-16-8-22(34)27-25(10-16)38-12-19(29(27)36)14-1-4-18(5-2-14)40-24-7-15(3-6-21(24)33)20-13-39-26-11-17(32)9-23(35)28(26)30(20)37;1-21(2)20-35-27-25(28(36)32(3)29(35)37)30-24(31-27)14-15-33-16-18-34(19-17-33)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23;1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16;1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-5-10-20-13-9-8-12(6-2)19-16(13)21-14(7-3)18-11(4)15(21)17(20)22;1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18;1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2;1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20;20-15-13-12(17-9-18-13)11-7-4-8-16-14(11)19(15)10-5-2-1-3-6-10;1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13;14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h39-44H,1-12H3;1-13,31-35H;4-13,21,26H,14-20H2,1-3H3,(H,30,31);9-11,16-17H,5-8,12-13H2,1-4H3;4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;8-9H,5-7,10H2,1-4H3;2-8H,1H3,(H,21,22);11H,4-10H2,1-3H3;6-8,11,15,20H,2-5,9H2,1H3,(H,17,19);1-9H,(H,17,18);7-9,12H,3-6H2,1-2H3,(H2,16,18);5-10H,1-4H3;7-8H,1-6H2,(H3,14,15,16)/b;;;;;;;;;;17-10+;;.

What are the key properties of 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?

8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 4776.37 g/mol, XLogP of 43.97, 59 rotatable bonds, 19 hydrogen bond donors, and 76 hydrogen bond acceptors.

Where does this data come from?

All data for 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3,12-diethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]sulfanyl-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;methyl 3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172949848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).