About N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121272101) has the molecular formula C21H20F3N7O2
and a molecular weight of 459.43 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
Molecular Properties
| Compound Name | N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide |
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| PubChem CID | 121272101 |
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| Molecular Formula | C21H20F3N7O2 |
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| Molecular Weight | 459.43 g/mol |
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| Exact Mass | 459.16 |
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| IUPAC Name | N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide |
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| SMILES | N#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCC[C@@H]1C(F)(F)F |
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| InChI | InChI=1S/C21H20F3N7O2/c22-21(23,24)17-2-1-5-31(17)19(32)11-28-14-6-13(8-26-15(14)7-25)16-9-29-18(10-27-16)30-20(33)12-3-4-12/h6,8-10,12,17,28H,1-5,11H2,(H,29,30,33)/t17-/m1/s1 |
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| InChIKey | IIISEEHQNINJKP-QGZVFWFLSA-N |
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| XLogP | 2.72 |
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| TPSA | 123.90 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 459.43 |
| LogP ≤ 5 | 2.72 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121272101) is N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is N#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCC[C@@H]1C(F)(F)F.
What is the InChIKey of N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is IIISEEHQNINJKP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20F3N7O2/c22-21(23,24)17-2-1-5-31(17)19(32)11-28-14-6-13(8-26-15(14)7-25)16-9-29-18(10-27-16)30-20(33)12-3-4-12/h6,8-10,12,17,28H,1-5,11H2,(H,29,30,33)/t17-/m1/s1.
What are the key properties of N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 459.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121272101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).