About 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide
6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide (PubChem CID 175664330) has the molecular formula C24H21FN8O2
and a molecular weight of 475.50 g/mol. Its IUPAC name is 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide.
Molecular Properties
| Compound Name | 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide |
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| PubChem CID | 175664330 |
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| Molecular Formula | C24H21FN8O2 |
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| Molecular Weight | 475.50 g/mol |
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| Exact Mass | 475.20 |
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| IUPAC Name | 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide |
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| SMILES | [2H]C([2H])([2H])NC(=O)c1n[nH]c2cc(-c3cnc(OC)c(-c4nnn([C@H](C)c5ccc(F)cc5)n4)c3)ccc12 |
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| InChI | InChI=1S/C24H21FN8O2/c1-13(14-4-7-17(25)8-5-14)33-31-22(30-32-33)19-10-16(12-27-24(19)35-3)15-6-9-18-20(11-15)28-29-21(18)23(34)26-2/h4-13H,1-3H3,(H,26,34)(H,28,29)/t13-/m1/s1/i2D3 |
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| InChIKey | DRAQPGZDKMSCAE-SZIUSNIFSA-N |
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| XLogP | 3.39 |
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| TPSA | 123.50 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 35 |
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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 | 475.50 |
| LogP ≤ 5 | 3.39 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide (CID 175664330) is 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1n[nH]c2cc(-c3cnc(OC)c(-c4nnn([C@H](C)c5ccc(F)cc5)n4)c3)ccc12.
What is the InChIKey of 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide?
The InChIKey is DRAQPGZDKMSCAE-SZIUSNIFSA-N. The full InChI is InChI=1S/C24H21FN8O2/c1-13(14-4-7-17(25)8-5-14)33-31-22(30-32-33)19-10-16(12-27-24(19)35-3)15-6-9-18-20(11-15)28-29-21(18)23(34)26-2/h4-13H,1-3H3,(H,26,34)(H,28,29)/t13-/m1/s1/i2D3.
What are the key properties of 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide?
6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 175664330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).