About (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one
(3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 130387571) has the molecular formula C23H18N6O2
and a molecular weight of 410.44 g/mol. Its IUPAC name is (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one.
Molecular Properties
| Compound Name | (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one |
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| PubChem CID | 130387571 |
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| Molecular Formula | C23H18N6O2 |
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| Molecular Weight | 410.44 g/mol |
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| Exact Mass | 410.15 |
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| IUPAC Name | (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one |
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| SMILES | CCN1C(=O)/C(=N\N=C2/C(=O)N(Cc3ccccc3)c3ncccc32)c2cccnc21 |
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| InChI | InChI=1S/C23H18N6O2/c1-2-28-20-16(10-6-12-24-20)18(22(28)30)26-27-19-17-11-7-13-25-21(17)29(23(19)31)14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3/b26-18-,27-19- |
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| InChIKey | NMCXULQBJUKYQF-WCOOBMQKSA-N |
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| XLogP | 2.58 |
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| TPSA | 91.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 410.44 |
| LogP ≤ 5 | 2.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Analyze (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one (CID 130387571) is (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one is CCN1C(=O)/C(=N\N=C2/C(=O)N(Cc3ccccc3)c3ncccc32)c2cccnc21.
What is the InChIKey of (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is NMCXULQBJUKYQF-WCOOBMQKSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-2-28-20-16(10-6-12-24-20)18(22(28)30)26-27-19-17-11-7-13-25-21(17)29(23(19)31)14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3/b26-18-,27-19-.
What are the key properties of (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one?
(3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 410.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 130387571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).