About [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 155326152) has the molecular formula C30H29N5O3
and a molecular weight of 507.59 g/mol. Its IUPAC name is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
Molecular Properties
| Compound Name | [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone |
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| PubChem CID | 155326152 |
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| Molecular Formula | C30H29N5O3 |
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| Molecular Weight | 507.59 g/mol |
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| Exact Mass | 507.23 |
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| IUPAC Name | [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone |
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| SMILES | O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCC(N2CCOCC2)CC1 |
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| InChI | InChI=1S/C30H29N5O3/c36-30(34-13-11-24(12-14-34)33-15-17-37-18-16-33)22-7-5-21(6-8-22)25-9-10-29-31-20-26(35(29)32-25)28-19-23-3-1-2-4-27(23)38-28/h1-10,19-20,24H,11-18H2 |
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| InChIKey | PYHRNXAACBOPCP-UHFFFAOYSA-N |
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| XLogP | 4.75 |
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| TPSA | 76.11 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 507.59 |
| LogP ≤ 5 | 4.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 155326152) is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3n2)cc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is PYHRNXAACBOPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c36-30(34-13-11-24(12-14-34)33-15-17-37-18-16-33)22-7-5-21(6-8-22)25-9-10-29-31-20-26(35(29)32-25)28-19-23-3-1-2-4-27(23)38-28/h1-10,19-20,24H,11-18H2.
What are the key properties of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 507.59 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 155326152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).