About ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate
ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 67268063) has the molecular formula C28H28FN5O3
and a molecular weight of 501.56 g/mol. Its IUPAC name is ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate.
Molecular Properties
| Compound Name | ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate |
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| PubChem CID | 67268063 |
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| Molecular Formula | C28H28FN5O3 |
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| Molecular Weight | 501.56 g/mol |
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| Exact Mass | 501.22 |
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| IUPAC Name | ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate |
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| SMILES | CCOC(=O)c1cn2c(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)cccc2n1 |
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| InChI | InChI=1S/C28H28FN5O3/c1-2-37-28(36)25-18-34-23(7-4-8-26(34)32-25)17-33-13-11-22(12-14-33)31-27(35)20-9-10-24(30-16-20)19-5-3-6-21(29)15-19/h3-10,15-16,18,22H,2,11-14,17H2,1H3,(H,31,35) |
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| InChIKey | BCPRGGJINFSVLW-UHFFFAOYSA-N |
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| XLogP | 4.11 |
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| TPSA | 88.83 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 501.56 |
| LogP ≤ 5 | 4.11 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate (CID 67268063) is ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2c(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)cccc2n1.
What is the InChIKey of ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is BCPRGGJINFSVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O3/c1-2-37-28(36)25-18-34-23(7-4-8-26(34)32-25)17-33-13-11-22(12-14-33)31-27(35)20-9-10-24(30-16-20)19-5-3-6-21(29)15-19/h3-10,15-16,18,22H,2,11-14,17H2,1H3,(H,31,35).
What are the key properties of ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 501.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 67268063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).