About [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 91632982) has the molecular formula C32H29FN4O2
and a molecular weight of 520.61 g/mol. Its IUPAC name is [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
Molecular Properties
| Compound Name | [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone |
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| PubChem CID | 91632982 |
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| Molecular Formula | C32H29FN4O2 |
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| Molecular Weight | 520.61 g/mol |
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| Exact Mass | 520.23 |
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| IUPAC Name | [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone |
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| SMILES | COc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(F)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1 |
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| InChI | InChI=1S/C32H29FN4O2/c1-39-28-14-9-25(10-15-28)32(38)36-19-17-35(18-20-36)22-29-31(24-7-12-27(33)13-8-24)34-30-16-11-26(21-37(29)30)23-5-3-2-4-6-23/h2-16,21H,17-20,22H2,1H3 |
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| InChIKey | CCMODTDNCPNVFN-UHFFFAOYSA-N |
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| XLogP | 5.77 |
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| TPSA | 50.08 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 520.61 |
| LogP ≤ 5 | 5.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 91632982) is [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(F)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1.
What is the InChIKey of [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is CCMODTDNCPNVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4O2/c1-39-28-14-9-25(10-15-28)32(38)36-19-17-35(18-20-36)22-29-31(24-7-12-27(33)13-8-24)34-30-16-11-26(21-37(29)30)23-5-3-2-4-6-23/h2-16,21H,17-20,22H2,1H3.
What are the key properties of [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 520.61 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-fluorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 91632982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).