About 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone (PubChem CID 67257664) has the molecular formula C25H25FN6O2
and a molecular weight of 460.51 g/mol. Its IUPAC name is 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone.
Molecular Properties
| Compound Name | 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone |
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| PubChem CID | 67257664 |
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| Molecular Formula | C25H25FN6O2 |
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| Molecular Weight | 460.51 g/mol |
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| Exact Mass | 460.20 |
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| IUPAC Name | 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone |
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| SMILES | O=C(Cc1ccc(CO)cc1)N1CCCC(Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1 |
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| InChI | InChI=1S/C25H25FN6O2/c26-19-7-8-23-28-13-21(32(23)14-19)25-27-10-9-22(30-25)29-20-2-1-11-31(15-20)24(34)12-17-3-5-18(16-33)6-4-17/h3-10,13-14,20,33H,1-2,11-12,15-16H2,(H,27,29,30) |
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| InChIKey | BAZHVGAAOQGFPO-UHFFFAOYSA-N |
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| XLogP | 3.07 |
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| TPSA | 95.65 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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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 | 460.51 |
| LogP ≤ 5 | 3.07 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone (CID 67257664) is 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone is O=C(Cc1ccc(CO)cc1)N1CCCC(Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The InChIKey is BAZHVGAAOQGFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c26-19-7-8-23-28-13-21(32(23)14-19)25-27-10-9-22(30-25)29-20-2-1-11-31(15-20)24(34)12-17-3-5-18(16-33)6-4-17/h3-10,13-14,20,33H,1-2,11-12,15-16H2,(H,27,29,30).
What are the key properties of 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone has a molecular weight of 460.51 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 67257664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).