About N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118173011) has the molecular formula C27H27FN8O3
and a molecular weight of 530.56 g/mol. Its IUPAC name is N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide |
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| PubChem CID | 118173011 |
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| Molecular Formula | C27H27FN8O3 |
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| Molecular Weight | 530.56 g/mol |
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| Exact Mass | 530.22 |
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| IUPAC Name | N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide |
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| SMILES | Cn1cc(-c2cccc(C(=O)Nc3cc4cn(CC(=O)N5CCN(C(=O)C6CC6)CC5)nc4cc3F)n2)cn1 |
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| InChI | InChI=1S/C27H27FN8O3/c1-33-14-19(13-29-33)21-3-2-4-22(30-21)26(38)31-24-11-18-15-36(32-23(18)12-20(24)28)16-25(37)34-7-9-35(10-8-34)27(39)17-5-6-17/h2-4,11-15,17H,5-10,16H2,1H3,(H,31,38) |
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| InChIKey | ATXKXBNJTKUYKW-UHFFFAOYSA-N |
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| XLogP | 2.30 |
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| TPSA | 118.25 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 | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 530.56 |
| LogP ≤ 5 | 2.30 |
| 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-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 118173011) is N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(-c2cccc(C(=O)Nc3cc4cn(CC(=O)N5CCN(C(=O)C6CC6)CC5)nc4cc3F)n2)cn1.
What is the InChIKey of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is ATXKXBNJTKUYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN8O3/c1-33-14-19(13-29-33)21-3-2-4-22(30-21)26(38)31-24-11-18-15-36(32-23(18)12-20(24)28)16-25(37)34-7-9-35(10-8-34)27(39)17-5-6-17/h2-4,11-15,17H,5-10,16H2,1H3,(H,31,38).
What are the key properties of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 530.56 g/mol, XLogP of 2.30, 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-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118173011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).