About 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide
1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide (PubChem CID 140618409) has the molecular formula C29H27F3N6O2
and a molecular weight of 548.57 g/mol. Its IUPAC name is 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide.
Molecular Properties
| Compound Name | 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide |
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| PubChem CID | 140618409 |
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| Molecular Formula | C29H27F3N6O2 |
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| Molecular Weight | 548.57 g/mol |
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| Exact Mass | 548.21 |
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| IUPAC Name | 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide |
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| SMILES | Cc1cc(-c2nn(C3CCCC(O)(Cn4cc5ccc(C(F)(F)F)cc5n4)C3)c3ccc(C(N)=O)cc23)ccn1 |
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| InChI | InChI=1S/C29H27F3N6O2/c1-17-11-18(8-10-34-17)26-23-12-19(27(33)39)5-7-25(23)38(36-26)22-3-2-9-28(40,14-22)16-37-15-20-4-6-21(29(30,31)32)13-24(20)35-37/h4-8,10-13,15,22,40H,2-3,9,14,16H2,1H3,(H2,33,39) |
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| InChIKey | AXRYNVYGUOZUDN-UHFFFAOYSA-N |
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| XLogP | 5.42 |
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| TPSA | 111.85 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 548.57 |
| LogP ≤ 5 | 5.42 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
The IUPAC name of 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide (CID 140618409) is 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide.
What is the SMILES notation for 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
The canonical SMILES for 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide is Cc1cc(-c2nn(C3CCCC(O)(Cn4cc5ccc(C(F)(F)F)cc5n4)C3)c3ccc(C(N)=O)cc23)ccn1.
What is the InChIKey of 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
The InChIKey is AXRYNVYGUOZUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N6O2/c1-17-11-18(8-10-34-17)26-23-12-19(27(33)39)5-7-25(23)38(36-26)22-3-2-9-28(40,14-22)16-37-15-20-4-6-21(29(30,31)32)13-24(20)35-37/h4-8,10-13,15,22,40H,2-3,9,14,16H2,1H3,(H2,33,39).
What are the key properties of 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide has a molecular weight of 548.57 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-[[6-(trifluoromethyl)indazol-2-yl]methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide is sourced from PubChem (CID 140618409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).