About [4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 121309782) has the molecular formula C30H24ClF2N5O
and a molecular weight of 544.01 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone.
Molecular Properties
| Compound Name | [4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone |
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| PubChem CID | 121309782 |
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| Molecular Formula | C30H24ClF2N5O |
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| Molecular Weight | 544.01 g/mol |
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| Exact Mass | 543.16 |
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| IUPAC Name | [4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone |
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| SMILES | O=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4c(F)cccc4F)cn23)CC1 |
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| InChI | InChI=1S/C30H24ClF2N5O/c31-23-7-4-20(5-8-23)29-26(19-36-14-16-37(17-15-36)30(39)21-10-12-34-13-11-21)38-18-22(6-9-27(38)35-29)28-24(32)2-1-3-25(28)33/h1-13,18H,14-17,19H2 |
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| InChIKey | PYAMVZQWCPAYRW-UHFFFAOYSA-N |
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| XLogP | 5.95 |
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| TPSA | 53.74 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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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 | 544.01 |
| LogP ≤ 5 | 5.95 |
| 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-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone (CID 121309782) is [4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4c(F)cccc4F)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is PYAMVZQWCPAYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClF2N5O/c31-23-7-4-20(5-8-23)29-26(19-36-14-16-37(17-15-36)30(39)21-10-12-34-13-11-21)38-18-22(6-9-27(38)35-29)28-24(32)2-1-3-25(28)33/h1-13,18H,14-17,19H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 544.01 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 121309782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).