OTO
1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile
Created: | 2022-09-20 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile |
Systematic Name (OpenEye OEToolkits) | 1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile |
Formula | C11 H8 N4 O |
Molecular Weight | 212.207 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=C(C1CC1)n2nc(C#N)c3cnccc23 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cncc2c1n(nc2C#N)C(=O)C3CC3 |
Canonical SMILES | CACTVS | 3.385 | O=C(C1CC1)n2nc(C#N)c3cnccc23 |
Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cncc2c1n(nc2C#N)C(=O)C3CC3 |
InChI | InChI | 1.06 | InChI=1S/C11H8N4O/c12-5-9-8-6-13-4-3-10(8)15(14-9)11(16)7-1-2-7/h3-4,6-7H,1-2H2 |
InChIKey | InChI | 1.06 | DHYXAKZNFKQCOW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL4753315 |
PubChem | 162653838 |
ChEMBL | CHEMBL4753315 |