About [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 90288793) has the molecular formula C22H25ClN6O2
and a molecular weight of 440.94 g/mol. Its IUPAC name is [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.
Molecular Properties
| Compound Name | [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone |
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| PubChem CID | 90288793 |
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| Molecular Formula | C22H25ClN6O2 |
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| Molecular Weight | 440.94 g/mol |
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| Exact Mass | 440.17 |
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| IUPAC Name | [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone |
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| SMILES | O=C(N1CCOCC1)N1CCC(Cn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1 |
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| InChI | InChI=1S/C22H25ClN6O2/c23-21-2-1-19-20(26-21)11-17(12-24-19)18-13-25-29(15-18)14-16-3-5-27(6-4-16)22(30)28-7-9-31-10-8-28/h1-2,11-13,15-16H,3-10,14H2 |
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| InChIKey | YEYZYXNOCKHLCY-UHFFFAOYSA-N |
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| XLogP | 3.31 |
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| TPSA | 76.38 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 31 |
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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 | 440.94 |
| LogP ≤ 5 | 3.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 90288793) is [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCC(Cn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1.
What is the InChIKey of [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is YEYZYXNOCKHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c23-21-2-1-19-20(26-21)11-17(12-24-19)18-13-25-29(15-18)14-16-3-5-27(6-4-16)22(30)28-7-9-31-10-8-28/h1-2,11-13,15-16H,3-10,14H2.
What are the key properties of [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 440.94 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 90288793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).