12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one

C113H101BrFN13O15S — CID 159949210

About 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one

12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one (PubChem CID 159949210) has the molecular formula C113H101BrFN13O15S and a molecular weight of 2012.10 g/mol. Its IUPAC name is 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
• PubChem CID: 159949210
• Molecular Formula: C113H101BrFN13O15S
• Molecular Weight: 2012.10 g/mol
• Exact Mass: 2009.64
• IUPAC Name: 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
• SMILES: C=C(O)[C@@H](CCSC)N1Cc2ccccc2C1=O.CC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O.CC(=O)c1ccc2c3c1NNC3c1ccccc1C2=O.CCOC(=O)c1ccc(N2Cc3ccncc3C2=O)cc1.CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(Br)c(C)c2)cc1.CCOc1ccc(N2C(=O)c3cccnc3C2O)cc1.O=C1c2cnccc2CN1c1ccccc1F
• InChI: InChI=1S/C22H20BrN3O2.C17H15NO2.C16H14N2O3.C16H12N2O2.C15H14N2O3.C14H17NO2S.C13H9FN2O/c1-3-28-17-9-7-16(8-10-17)26-21(20-18(22(26)27)5-4-12-24-20)25-15-6-11-19(23)14(2)13-15;1-12(19)16(13-7-3-2-4-8-13)18-11-14-9-5-6-10-15(14)17(18)20;1-2-21-16(20)11-3-5-13(6-4-11)18-10-12-7-8-17-9-14(12)15(18)19;1-8(19)9-6-7-12-13-14(9)17-18-15(13)10-4-2-3-5-11(10)16(12)20;1-2-20-11-7-5-10(6-8-11)17-14(18)12-4-3-9-16-13(12)15(17)19;1-10(16)13(7-8-18-2)15-9-11-5-3-4-6-12(11)14(15)17;14-11-3-1-2-4-12(11)16-8-9-5-6-15-7-10(9)13(16)17/h4-13,21,25H,3H2,1-2H3;2-10,16H,11H2,1H3;3-9H,2,10H2,1H3;2-7,15,17-18H,1H3;3-9,15,19H,2H2,1H3;3-6,13,16H,1,7-9H2,2H3;1-7H,8H2/t;16-;;;;13-;/m.1...1./s1
• InChIKey: OBWRGPUYMBXMOW-DCWYONIYSA-N
• XLogP: 20.52
• TPSA: 345.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2012.10
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one?

The IUPAC name of 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one (CID 159949210) is 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one.

What is the SMILES notation for 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one?

The canonical SMILES for 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one is C=C(O)[C@@H](CCSC)N1Cc2ccccc2C1=O.CC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O.CC(=O)c1ccc2c3c1NNC3c1ccccc1C2=O.CCOC(=O)c1ccc(N2Cc3ccncc3C2=O)cc1.CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(Br)c(C)c2)cc1.CCOc1ccc(N2C(=O)c3cccnc3C2O)cc1.O=C1c2cnccc2CN1c1ccccc1F.

What is the InChIKey of 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one?

The InChIKey is OBWRGPUYMBXMOW-DCWYONIYSA-N. The full InChI is InChI=1S/C22H20BrN3O2.C17H15NO2.C16H14N2O3.C16H12N2O2.C15H14N2O3.C14H17NO2S.C13H9FN2O/c1-3-28-17-9-7-16(8-10-17)26-21(20-18(22(26)27)5-4-12-24-20)25-15-6-11-19(23)14(2)13-15;1-12(19)16(13-7-3-2-4-8-13)18-11-14-9-5-6-10-15(14)17(18)20;1-2-21-16(20)11-3-5-13(6-4-11)18-10-12-7-8-17-9-14(12)15(18)19;1-8(19)9-6-7-12-13-14(9)17-18-15(13)10-4-2-3-5-11(10)16(12)20;1-2-20-11-7-5-10(6-8-11)17-14(18)12-4-3-9-16-13(12)15(17)19;1-10(16)13(7-8-18-2)15-9-11-5-3-4-6-12(11)14(15)17;14-11-3-1-2-4-12(11)16-8-9-5-6-15-7-10(9)13(16)17/h4-13,21,25H,3H2,1-2H3;2-10,16H,11H2,1H3;3-9H,2,10H2,1H3;2-7,15,17-18H,1H3;3-9,15,19H,2H2,1H3;3-6,13,16H,1,7-9H2,2H3;1-7H,8H2/t;16-;;;;13-;/m.1...1./s1.

What are the key properties of 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one?

12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one has a molecular weight of 2012.10 g/mol, XLogP of 20.52, 21 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 12-acetyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one;7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;2-[(3R)-2-hydroxy-5-methylsulfanylpent-1-en-3-yl]-3H-isoindol-1-one;2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one is sourced from PubChem (CID 159949210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).