About N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155448908) has the molecular formula C27H32F3N5O2
and a molecular weight of 515.58 g/mol. Its IUPAC name is N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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| PubChem CID | 155448908 |
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| Molecular Formula | C27H32F3N5O2 |
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| Molecular Weight | 515.58 g/mol |
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| Exact Mass | 515.25 |
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| IUPAC Name | N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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| SMILES | CC1CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(N4CCC(CO)CC4)cc3n2)CC1 |
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| InChI | InChI=1S/C27H32F3N5O2/c1-17-5-7-20(8-6-17)35-15-19-13-23(32-26(37)21-3-2-4-25(31-21)27(28,29)30)24(14-22(19)33-35)34-11-9-18(16-36)10-12-34/h2-4,13-15,17-18,20,36H,5-12,16H2,1H3,(H,32,37) |
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| InChIKey | XGJBCMCMGVQIAS-UHFFFAOYSA-N |
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| XLogP | 5.66 |
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| TPSA | 83.28 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 515.58 |
| LogP ≤ 5 | 5.66 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155448908) is N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC1CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(N4CCC(CO)CC4)cc3n2)CC1.
What is the InChIKey of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XGJBCMCMGVQIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O2/c1-17-5-7-20(8-6-17)35-15-19-13-23(32-26(37)21-3-2-4-25(31-21)27(28,29)30)24(14-22(19)33-35)34-11-9-18(16-36)10-12-34/h2-4,13-15,17-18,20,36H,5-12,16H2,1H3,(H,32,37).
What are the key properties of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 515.58 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155448908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).