4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide

C208H230Cl2FN29O28 — CID 159497963

About 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide

4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide (PubChem CID 159497963) has the molecular formula C208H230Cl2FN29O28 and a molecular weight of 3674.21 g/mol. Its IUPAC name is 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
• PubChem CID: 159497963
• Molecular Formula: C208H230Cl2FN29O28
• Molecular Weight: 3674.21 g/mol
• Exact Mass: 3670.68
• IUPAC Name: 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
• SMILES: CCCn1c(=O)c2c(C)nc(CC)n2c2nc(OC)ccc21.CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=N[C@@H]1CCN(C)C[C@H]21.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COC(=O)CC(c1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O.COc1cc2c(cc1OC)C1CN(C)CCC1N=C2c1ccc(NC(C)=O)cc1.COc1ccc(C2=NOC(C(=O)NO)C2)cc1OC1CCCC1.COc1ccc([C@@H](Cc2ccncc2)c2ccccc2)cc1OC1CCCC1.Cc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2.Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12
• InChI: InChI=1S/C29H39N3O3.C25H27NO2.C24H20N4O2.C23H27N3O3.C22H14Cl2FN3O3.C20H25N3O.C20H21NO5.C16H20N4O2.C16H20N2O5.C13H17N5O2/c1-8-35-27-15-22-23(16-26(27)34-7)28(30-25-13-14-31(6)17-24(22)25)20-9-11-21(12-10-20)29(33)32(18(2)3)19(4)5;1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19;1-15-13-18-9-12-28-21(18)19(14-15)20(16-5-3-2-4-6-16)26-22(24(28)30)27-23(29)17-7-10-25-11-8-17;1-14(27)24-16-7-5-15(6-8-16)23-18-12-22(29-4)21(28-3)11-17(18)19-13-26(2)10-9-20(19)25-23;23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19;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;1-24-17-9-8-13(10-18(17)25-2)16(11-19(22)26-3)21-12-14-6-4-5-7-15(14)20(21)23;1-5-9-19-11-7-8-13(22-4)18-15(11)20-12(6-2)17-10(3)14(20)16(19)21;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;14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h9-12,15-16,18-19,24-25H,8,13-14,17H2,1-7H3;2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3;2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29);5-8,11-12,19-20H,9-10,13H2,1-4H3,(H,24,27);1-9,11,29H,10H2,(H,26,27,31);4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;4-10,16H,11-12H2,1-3H3;7-8H,5-6,9H2,1-4H3;6-8,11,15,20H,2-5,9H2,1H3,(H,17,19);7-8H,1-6H2,(H3,14,15,16)/t24-,25-;23-;22-;;;;;;;/m100......./s1
• InChIKey: LZABPTSPFXETBF-BAYARMEYSA-N
• XLogP: 33.70
• TPSA: 660.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 48
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3674.21
LogP ≤ 5	33.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

The IUPAC name of 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide (CID 159497963) is 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide.

What is the SMILES notation for 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

The canonical SMILES for 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide is CCCn1c(=O)c2c(C)nc(CC)n2c2nc(OC)ccc21.CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=N[C@@H]1CCN(C)C[C@H]21.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COC(=O)CC(c1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O.COc1cc2c(cc1OC)C1CN(C)CCC1N=C2c1ccc(NC(C)=O)cc1.COc1ccc(C2=NOC(C(=O)NO)C2)cc1OC1CCCC1.COc1ccc([C@@H](Cc2ccncc2)c2ccccc2)cc1OC1CCCC1.Cc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2.Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12.

What is the InChIKey of 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

The InChIKey is LZABPTSPFXETBF-BAYARMEYSA-N. The full InChI is InChI=1S/C29H39N3O3.C25H27NO2.C24H20N4O2.C23H27N3O3.C22H14Cl2FN3O3.C20H25N3O.C20H21NO5.C16H20N4O2.C16H20N2O5.C13H17N5O2/c1-8-35-27-15-22-23(16-26(27)34-7)28(30-25-13-14-31(6)17-24(22)25)20-9-11-21(12-10-20)29(33)32(18(2)3)19(4)5;1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19;1-15-13-18-9-12-28-21(18)19(14-15)20(16-5-3-2-4-6-16)26-22(24(28)30)27-23(29)17-7-10-25-11-8-17;1-14(27)24-16-7-5-15(6-8-16)23-18-12-22(29-4)21(28-3)11-17(18)19-13-26(2)10-9-20(19)25-23;23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19;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;1-24-17-9-8-13(10-18(17)25-2)16(11-19(22)26-3)21-12-14-6-4-5-7-15(14)20(21)23;1-5-9-19-11-7-8-13(22-4)18-15(11)20-12(6-2)17-10(3)14(20)16(19)21;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;14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h9-12,15-16,18-19,24-25H,8,13-14,17H2,1-7H3;2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3;2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29);5-8,11-12,19-20H,9-10,13H2,1-4H3,(H,24,27);1-9,11,29H,10H2,(H,26,27,31);4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;4-10,16H,11-12H2,1-3H3;7-8H,5-6,9H2,1-4H3;6-8,11,15,20H,2-5,9H2,1H3,(H,17,19);7-8H,1-6H2,(H3,14,15,16)/t24-,25-;23-;22-;;;;;;;/m100......./s1.

What are the key properties of 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide has a molecular weight of 3674.21 g/mol, XLogP of 33.70, 48 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide;8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-[4-(8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]acetamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide is sourced from PubChem (CID 159497963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).