About 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 150237501) has the molecular formula C26H25F3N8
and a molecular weight of 506.54 g/mol. Its IUPAC name is 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine.
Molecular Properties
| Compound Name | 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine |
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| PubChem CID | 150237501 |
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| Molecular Formula | C26H25F3N8 |
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| Molecular Weight | 506.54 g/mol |
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| Exact Mass | 506.22 |
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| IUPAC Name | 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine |
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| SMILES | CCn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(C5CC5)cnn4CC)nc32)cc1 |
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| InChI | InChI=1S/C26H25F3N8/c1-3-35-15-21(26(27,28)29)33-24(35)18-7-5-16(6-8-18)14-37-25-19(12-31-37)11-30-23(34-25)22-20(17-9-10-17)13-32-36(22)4-2/h5-8,11-13,15,17H,3-4,9-10,14H2,1-2H3 |
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| InChIKey | FWVBEBBERVBFHM-UHFFFAOYSA-N |
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| XLogP | 5.54 |
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| TPSA | 79.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 506.54 |
| LogP ≤ 5 | 5.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine (CID 150237501) is 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine is CCn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(C5CC5)cnn4CC)nc32)cc1.
What is the InChIKey of 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is FWVBEBBERVBFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N8/c1-3-35-15-21(26(27,28)29)33-24(35)18-7-5-16(6-8-18)14-37-25-19(12-31-37)11-30-23(34-25)22-20(17-9-10-17)13-32-36(22)4-2/h5-8,11-13,15,17H,3-4,9-10,14H2,1-2H3.
What are the key properties of 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 506.54 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyl-1-ethylpyrazol-5-yl)-1-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 150237501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).