About N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 168929837) has the molecular formula C27H20F4N6O2
and a molecular weight of 536.49 g/mol. Its IUPAC name is N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
Molecular Properties
| Compound Name | N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
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| PubChem CID | 168929837 |
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| Molecular Formula | C27H20F4N6O2 |
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| Molecular Weight | 536.49 g/mol |
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| Exact Mass | 536.16 |
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| IUPAC Name | N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
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| SMILES | Cc1cc(F)c(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cncc(-c2ccnc(NC(=O)C3CC3)c2)n1 |
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| InChI | InChI=1S/C27H20F4N6O2/c1-14-8-19(28)20(36-26(39)17-5-6-33-23(9-17)27(29,30)31)11-18(14)22-13-32-12-21(35-22)16-4-7-34-24(10-16)37-25(38)15-2-3-15/h4-13,15H,2-3H2,1H3,(H,36,39)(H,34,37,38) |
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| InChIKey | QHDAFRDXFNYBOZ-UHFFFAOYSA-N |
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| XLogP | 5.67 |
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| TPSA | 109.76 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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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
2 violations
| Rule | Value |
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| MW ≤ 500 | 536.49 |
| LogP ≤ 5 | 5.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 168929837) is N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1cc(F)c(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cncc(-c2ccnc(NC(=O)C3CC3)c2)n1.
What is the InChIKey of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is QHDAFRDXFNYBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F4N6O2/c1-14-8-19(28)20(36-26(39)17-5-6-33-23(9-17)27(29,30)31)11-18(14)22-13-32-12-21(35-22)16-4-7-34-24(10-16)37-25(38)15-2-3-15/h4-13,15H,2-3H2,1H3,(H,36,39)(H,34,37,38).
What are the key properties of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 536.49 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 168929837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).