About ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide
ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide (PubChem CID 143288225) has the molecular formula C31H35F3N4O4
and a molecular weight of 584.64 g/mol. Its IUPAC name is ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide.
Molecular Properties
| Compound Name | ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide |
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| PubChem CID | 143288225 |
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| Molecular Formula | C31H35F3N4O4 |
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| Molecular Weight | 584.64 g/mol |
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| Exact Mass | 584.26 |
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| IUPAC Name | ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide |
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| SMILES | CC.COc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(C)cc(C(F)(F)F)c2)cc1OCCN1CCOCC1 |
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| InChI | InChI=1S/C29H29F3N4O4.C2H6/c1-19-15-21(17-22(16-19)29(30,31)32)28(37)34-27-26(33-25-5-3-4-8-36(25)27)20-6-7-23(38-2)24(18-20)40-14-11-35-9-12-39-13-10-35;1-2/h3-8,15-18H,9-14H2,1-2H3,(H,34,37);1-2H3 |
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| InChIKey | CHATWMZKBXIXBW-UHFFFAOYSA-N |
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| XLogP | 6.33 |
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| TPSA | 77.33 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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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 | 584.64 |
| LogP ≤ 5 | 6.33 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide (CID 143288225) is ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide is CC.COc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(C)cc(C(F)(F)F)c2)cc1OCCN1CCOCC1.
What is the InChIKey of ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is CHATWMZKBXIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O4.C2H6/c1-19-15-21(17-22(16-19)29(30,31)32)28(37)34-27-26(33-25-5-3-4-8-36(25)27)20-6-7-23(38-2)24(18-20)40-14-11-35-9-12-39-13-10-35;1-2/h3-8,15-18H,9-14H2,1-2H3,(H,34,37);1-2H3.
What are the key properties of ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide?
ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 584.64 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 143288225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).