About 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one
4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 58083248) has the molecular formula C21H31N5O2
and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one.
Molecular Properties
| Compound Name | 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one |
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| PubChem CID | 58083248 |
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| Molecular Formula | C21H31N5O2 |
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| Molecular Weight | 385.51 g/mol |
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| Exact Mass | 385.25 |
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| IUPAC Name | 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one |
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| SMILES | CCCCCc1cc2c([nH]c(=O)n2CC2CCN(C(=O)C3CC3)CC2)c(N)n1 |
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| InChI | InChI=1S/C21H31N5O2/c1-2-3-4-5-16-12-17-18(19(22)23-16)24-21(28)26(17)13-14-8-10-25(11-9-14)20(27)15-6-7-15/h12,14-15H,2-11,13H2,1H3,(H2,22,23)(H,24,28) |
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| InChIKey | LVCVZXBWFSDMLZ-UHFFFAOYSA-N |
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| XLogP | 2.69 |
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| TPSA | 97.01 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 28 |
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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 | 385.51 |
| LogP ≤ 5 | 2.69 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one (CID 58083248) is 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one is CCCCCc1cc2c([nH]c(=O)n2CC2CCN(C(=O)C3CC3)CC2)c(N)n1.
What is the InChIKey of 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is LVCVZXBWFSDMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-2-3-4-5-16-12-17-18(19(22)23-16)24-21(28)26(17)13-14-8-10-25(11-9-14)20(27)15-6-7-15/h12,14-15H,2-11,13H2,1H3,(H2,22,23)(H,24,28).
What are the key properties of 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 385.51 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 58083248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).