About [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone
[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 71525989) has the molecular formula C27H29N7O2
and a molecular weight of 483.58 g/mol. Its IUPAC name is [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone.
Molecular Properties
| Compound Name | [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone |
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| PubChem CID | 71525989 |
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| Molecular Formula | C27H29N7O2 |
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| Molecular Weight | 483.58 g/mol |
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| Exact Mass | 483.24 |
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| IUPAC Name | [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone |
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| SMILES | CC1CCCN1c1cccc(Nc2cc(-c3cccc(C(=O)N4CCOCC4)c3)nn3ccnc23)n1 |
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| InChI | InChI=1S/C27H29N7O2/c1-19-5-4-11-33(19)25-9-3-8-24(30-25)29-23-18-22(31-34-12-10-28-26(23)34)20-6-2-7-21(17-20)27(35)32-13-15-36-16-14-32/h2-3,6-10,12,17-19H,4-5,11,13-16H2,1H3,(H,29,30) |
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| InChIKey | SHCYNAYQNCBEAU-UHFFFAOYSA-N |
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| XLogP | 4.00 |
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| TPSA | 87.89 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 36 |
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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 | 483.58 |
| LogP ≤ 5 | 4.00 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 71525989) is [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone is CC1CCCN1c1cccc(Nc2cc(-c3cccc(C(=O)N4CCOCC4)c3)nn3ccnc23)n1.
What is the InChIKey of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is SHCYNAYQNCBEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-19-5-4-11-33(19)25-9-3-8-24(30-25)29-23-18-22(31-34-12-10-28-26(23)34)20-6-2-7-21(17-20)27(35)32-13-15-36-16-14-32/h2-3,6-10,12,17-19H,4-5,11,13-16H2,1H3,(H,29,30).
What are the key properties of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone?
[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 483.58 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71525989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).