About N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172847) has the molecular formula C25H25F3N8O2
and a molecular weight of 526.52 g/mol. Its IUPAC name is N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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| PubChem CID | 118172847 |
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| Molecular Formula | C25H25F3N8O2 |
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| Molecular Weight | 526.52 g/mol |
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| Exact Mass | 526.21 |
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| IUPAC Name | N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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| SMILES | Cn1cc(CN2CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)cn1 |
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| InChI | InChI=1S/C25H25F3N8O2/c1-33-13-17(12-29-33)14-34-7-9-35(10-8-34)23(37)16-36-15-18-11-19(5-6-20(18)32-36)30-24(38)21-3-2-4-22(31-21)25(26,27)28/h2-6,11-13,15H,7-10,14,16H2,1H3,(H,30,38) |
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| InChIKey | XKQDFGMGPYFDNH-UHFFFAOYSA-N |
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| XLogP | 2.78 |
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| TPSA | 101.18 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 526.52 |
| LogP ≤ 5 | 2.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172847) is N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cn1cc(CN2CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)cn1.
What is the InChIKey of N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XKQDFGMGPYFDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O2/c1-33-13-17(12-29-33)14-34-7-9-35(10-8-34)23(37)16-36-15-18-11-19(5-6-20(18)32-36)30-24(38)21-3-2-4-22(31-21)25(26,27)28/h2-6,11-13,15H,7-10,14,16H2,1H3,(H,30,38).
What are the key properties of N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 526.52 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).