About N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide
N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 74045939) has the molecular formula C20H17FN6O2
and a molecular weight of 392.39 g/mol. Its IUPAC name is N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide.
Molecular Properties
| Compound Name | N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide |
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| PubChem CID | 74045939 |
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| Molecular Formula | C20H17FN6O2 |
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| Molecular Weight | 392.39 g/mol |
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| Exact Mass | 392.14 |
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| IUPAC Name | N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide |
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| SMILES | CN(C)C=Nc1ncnc2c1c(-c1ccc(C=O)o1)nn2Cc1ccccc1F |
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| InChI | InChI=1S/C20H17FN6O2/c1-26(2)12-24-19-17-18(16-8-7-14(10-28)29-16)25-27(20(17)23-11-22-19)9-13-5-3-4-6-15(13)21/h3-8,10-12H,9H2,1-2H3 |
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| InChIKey | SVHKPKHSGQLHRP-UHFFFAOYSA-N |
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| XLogP | 3.31 |
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| TPSA | 89.41 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 29 |
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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 | 392.39 |
| LogP ≤ 5 | 3.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 74045939) is N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1ncnc2c1c(-c1ccc(C=O)o1)nn2Cc1ccccc1F.
What is the InChIKey of N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is SVHKPKHSGQLHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-26(2)12-24-19-17-18(16-8-7-14(10-28)29-16)25-27(20(17)23-11-22-19)9-13-5-3-4-6-15(13)21/h3-8,10-12H,9H2,1-2H3.
What are the key properties of N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide?
N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 392.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 74045939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).