About [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
[3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 76553520) has the molecular formula C29H26N4O2
and a molecular weight of 462.55 g/mol. Its IUPAC name is [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone.
Molecular Properties
| Compound Name | [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone |
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| PubChem CID | 76553520 |
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| Molecular Formula | C29H26N4O2 |
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| Molecular Weight | 462.55 g/mol |
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| Exact Mass | 462.21 |
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| IUPAC Name | [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone |
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| SMILES | O=C(C1CC1)N1CCC(Cn2c(-c3ccc(-c4ccc5occc5c4)cc3)nc3cnccc32)C1 |
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| InChI | InChI=1S/C29H26N4O2/c34-29(22-5-6-22)32-13-10-19(17-32)18-33-26-9-12-30-16-25(26)31-28(33)21-3-1-20(2-4-21)23-7-8-27-24(15-23)11-14-35-27/h1-4,7-9,11-12,14-16,19,22H,5-6,10,13,17-18H2 |
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| InChIKey | MXQGGBTXHJSPPG-UHFFFAOYSA-N |
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| XLogP | 5.77 |
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| TPSA | 64.16 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 | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 462.55 |
| 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 [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone (CID 76553520) is [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCC(Cn2c(-c3ccc(-c4ccc5occc5c4)cc3)nc3cnccc32)C1.
What is the InChIKey of [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is MXQGGBTXHJSPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c34-29(22-5-6-22)32-13-10-19(17-32)18-33-26-9-12-30-16-25(26)31-28(33)21-3-1-20(2-4-21)23-7-8-27-24(15-23)11-14-35-27/h1-4,7-9,11-12,14-16,19,22H,5-6,10,13,17-18H2.
What are the key properties of [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone?
[3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 462.55 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 76553520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).