About [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
[7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 135300278) has the molecular formula C24H22FN5O2
and a molecular weight of 431.47 g/mol. Its IUPAC name is [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
Molecular Properties
| Compound Name | [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone |
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| PubChem CID | 135300278 |
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| Molecular Formula | C24H22FN5O2 |
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| Molecular Weight | 431.47 g/mol |
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| Exact Mass | 431.18 |
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| IUPAC Name | [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone |
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| SMILES | COc1ccc(-c2cc(-c3ccnc(F)c3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1 |
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| InChI | InChI=1S/C24H22FN5O2/c1-32-18-7-5-16(6-8-18)19-14-21(17-9-10-26-22(25)13-17)30-23(27-19)15-20(28-30)24(31)29-11-3-2-4-12-29/h5-10,13-15H,2-4,11-12H2,1H3 |
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| InChIKey | GBPQUWSZYYJFKZ-UHFFFAOYSA-N |
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| XLogP | 4.23 |
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| TPSA | 72.62 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 32 |
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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 | 431.47 |
| LogP ≤ 5 | 4.23 |
| 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 [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 135300278) is [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is COc1ccc(-c2cc(-c3ccnc(F)c3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is GBPQUWSZYYJFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-32-18-7-5-16(6-8-18)19-14-21(17-9-10-26-22(25)13-17)30-23(27-19)15-20(28-30)24(31)29-11-3-2-4-12-29/h5-10,13-15H,2-4,11-12H2,1H3.
What are the key properties of [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
[7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 431.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-fluoro-4-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).