About N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide
N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide (PubChem CID 143973959) has the molecular formula C16H16FN9
and a molecular weight of 353.37 g/mol. Its IUPAC name is N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide.
Molecular Properties
| Compound Name | N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide |
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| PubChem CID | 143973959 |
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| Molecular Formula | C16H16FN9 |
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| Molecular Weight | 353.37 g/mol |
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| Exact Mass | 353.15 |
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| IUPAC Name | N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide |
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| SMILES | CC/N=C/N(N)c1cc(F)cc(Nc2cc(N)c3ncc(C#N)n3n2)c1 |
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| InChI | InChI=1S/C16H16FN9/c1-2-21-9-25(20)12-4-10(17)3-11(5-12)23-15-6-14(19)16-22-8-13(7-18)26(16)24-15/h3-6,8-9H,2,19-20H2,1H3,(H,23,24)/b21-9+ |
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| InChIKey | FQBBYGFMUSQHFN-ZVBGSRNCSA-N |
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| XLogP | 1.79 |
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| TPSA | 133.65 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 26 |
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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 | 353.37 |
| LogP ≤ 5 | 1.79 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide?
The IUPAC name of N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide (CID 143973959) is N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide.
What is the SMILES notation for N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide?
The canonical SMILES for N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide is CC/N=C/N(N)c1cc(F)cc(Nc2cc(N)c3ncc(C#N)n3n2)c1.
What is the InChIKey of N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide?
The InChIKey is FQBBYGFMUSQHFN-ZVBGSRNCSA-N. The full InChI is InChI=1S/C16H16FN9/c1-2-21-9-25(20)12-4-10(17)3-11(5-12)23-15-6-14(19)16-22-8-13(7-18)26(16)24-15/h3-6,8-9H,2,19-20H2,1H3,(H,23,24)/b21-9+.
What are the key properties of N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide?
N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide has a molecular weight of 353.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[3-[(8-amino-3-cyanoimidazo[1,2-b]pyridazin-6-yl)amino]-5-fluorophenyl]-N'-ethylmethanimidamide is sourced from PubChem (CID 143973959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).