About (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
(NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 87623644) has the molecular formula C23H25N5O
and a molecular weight of 387.49 g/mol. Its IUPAC name is (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
Molecular Properties
| Compound Name | (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine |
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| PubChem CID | 87623644 |
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| Molecular Formula | C23H25N5O |
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| Molecular Weight | 387.49 g/mol |
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| Exact Mass | 387.21 |
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| IUPAC Name | (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine |
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| SMILES | CC1CCN(n2cc(-c3ccc4c(c3)CC/C4=N\O)c(-c3ccncc3)n2)CC1 |
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| InChI | InChI=1S/C23H25N5O/c1-16-8-12-27(13-9-16)28-15-21(23(25-28)17-6-10-24-11-7-17)19-2-4-20-18(14-19)3-5-22(20)26-29/h2,4,6-7,10-11,14-16,29H,3,5,8-9,12-13H2,1H3/b26-22+ |
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| InChIKey | QPROAMYIMIWMOV-XTCLZLMSSA-N |
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| XLogP | 4.10 |
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| TPSA | 66.54 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 29 |
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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 | 387.49 |
| LogP ≤ 5 | 4.10 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 87623644) is (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is CC1CCN(n2cc(-c3ccc4c(c3)CC/C4=N\O)c(-c3ccncc3)n2)CC1.
What is the InChIKey of (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is QPROAMYIMIWMOV-XTCLZLMSSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-8-12-27(13-9-16)28-15-21(23(25-28)17-6-10-24-11-7-17)19-2-4-20-18(14-19)3-5-22(20)26-29/h2,4,6-7,10-11,14-16,29H,3,5,8-9,12-13H2,1H3/b26-22+.
What are the key properties of (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 387.49 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[1-(4-methylpiperidin-1-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 87623644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).