About tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane
tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane (PubChem CID 166127164) has the molecular formula C33H44N4O5
and a molecular weight of 576.74 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane.
Molecular Properties
| Compound Name | tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane |
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| PubChem CID | 166127164 |
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| Molecular Formula | C33H44N4O5 |
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| Molecular Weight | 576.74 g/mol |
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| Exact Mass | 576.33 |
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| IUPAC Name | tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane |
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| SMILES | CC.CCCOCCOCCN(C(=O)OC(C)(C)C)c1cc(-c2ccc(-c3cn4cc(OC)ccc4n3)cc2)ccn1 |
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| InChI | InChI=1S/C31H38N4O5.C2H6/c1-6-16-38-18-19-39-17-15-35(30(36)40-31(2,3)4)29-20-25(13-14-32-29)23-7-9-24(10-8-23)27-22-34-21-26(37-5)11-12-28(34)33-27;1-2/h7-14,20-22H,6,15-19H2,1-5H3;1-2H3 |
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| InChIKey | AMOZEBDTVFPOQJ-UHFFFAOYSA-N |
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| XLogP | 7.28 |
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| TPSA | 87.42 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 576.74 |
| LogP ≤ 5 | 7.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane (CID 166127164) is tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane is CC.CCCOCCOCCN(C(=O)OC(C)(C)C)c1cc(-c2ccc(-c3cn4cc(OC)ccc4n3)cc2)ccn1.
What is the InChIKey of tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane?
The InChIKey is AMOZEBDTVFPOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O5.C2H6/c1-6-16-38-18-19-39-17-15-35(30(36)40-31(2,3)4)29-20-25(13-14-32-29)23-7-9-24(10-8-23)27-22-34-21-26(37-5)11-12-28(34)33-27;1-2/h7-14,20-22H,6,15-19H2,1-5H3;1-2H3.
What are the key properties of tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane?
tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane has a molecular weight of 576.74 g/mol, XLogP of 7.28, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-N-[2-(2-propoxyethoxy)ethyl]carbamate;ethane is sourced from PubChem (CID 166127164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).