About 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide
3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 127037805) has the molecular formula C23H22FN7O
and a molecular weight of 431.48 g/mol. Its IUPAC name is 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide.
Molecular Properties
| Compound Name | 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide |
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| PubChem CID | 127037805 |
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| Molecular Formula | C23H22FN7O |
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| Molecular Weight | 431.48 g/mol |
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| Exact Mass | 431.19 |
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| IUPAC Name | 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide |
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| SMILES | NC(N)=Nc1ccc(CNc2cnc3cc(C(=O)NCc4cccc(F)c4)ccn23)cc1 |
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| InChI | InChI=1S/C23H22FN7O/c24-18-3-1-2-16(10-18)13-29-22(32)17-8-9-31-20(11-17)28-14-21(31)27-12-15-4-6-19(7-5-15)30-23(25)26/h1-11,14,27H,12-13H2,(H,29,32)(H4,25,26,30) |
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| InChIKey | BAVFOOICDJSBIZ-UHFFFAOYSA-N |
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| XLogP | 2.92 |
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| TPSA | 122.83 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 32 |
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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 | 431.48 |
| LogP ≤ 5 | 2.92 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'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 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 127037805) is 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide is NC(N)=Nc1ccc(CNc2cnc3cc(C(=O)NCc4cccc(F)c4)ccn23)cc1.
What is the InChIKey of 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is BAVFOOICDJSBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c24-18-3-1-2-16(10-18)13-29-22(32)17-8-9-31-20(11-17)28-14-21(31)27-12-15-4-6-19(7-5-15)30-23(25)26/h1-11,14,27H,12-13H2,(H,29,32)(H4,25,26,30).
What are the key properties of 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 431.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 127037805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).