About 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile
2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile (PubChem CID 67458581) has the molecular formula C20H18F3N9O2S
and a molecular weight of 505.49 g/mol. Its IUPAC name is 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile.
Molecular Properties
| Compound Name | 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile |
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| PubChem CID | 67458581 |
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| Molecular Formula | C20H18F3N9O2S |
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| Molecular Weight | 505.49 g/mol |
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| Exact Mass | 505.13 |
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| IUPAC Name | 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile |
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| SMILES | Cn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CCN(S(=O)(=O)C(F)(F)F)C4)c3)n2)cn1 |
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| InChI | InChI=1S/C20H18F3N9O2S/c1-29-11-14(9-26-29)16-8-17-25-5-7-31(17)18(28-16)15-10-27-32(12-15)19(2-4-24)3-6-30(13-19)35(33,34)20(21,22)23/h5,7-12H,2-3,6,13H2,1H3 |
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| InChIKey | YEXDOLMXLLPBJA-UHFFFAOYSA-N |
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| XLogP | 2.16 |
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| TPSA | 127.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 505.49 |
| LogP ≤ 5 | 2.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile (CID 67458581) is 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile is Cn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CCN(S(=O)(=O)C(F)(F)F)C4)c3)n2)cn1.
What is the InChIKey of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile?
The InChIKey is YEXDOLMXLLPBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N9O2S/c1-29-11-14(9-26-29)16-8-17-25-5-7-31(17)18(28-16)15-10-27-32(12-15)19(2-4-24)3-6-30(13-19)35(33,34)20(21,22)23/h5,7-12H,2-3,6,13H2,1H3.
What are the key properties of 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile?
2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile has a molecular weight of 505.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]acetonitrile is sourced from PubChem (CID 67458581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).