About [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 156907445) has the molecular formula C26H25F4N7O
and a molecular weight of 527.53 g/mol. Its IUPAC name is [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone.
Molecular Properties
| Compound Name | [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone |
|---|
| PubChem CID | 156907445 |
|---|
| Molecular Formula | C26H25F4N7O |
|---|
| Molecular Weight | 527.53 g/mol |
|---|
| Exact Mass | 527.21 |
|---|
| IUPAC Name | [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone |
|---|
| SMILES | CN(C)C1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nc5ccc(C(F)(F)F)cc5[nH]4)n3)cc2F)CC1 |
|---|
| InChI | InChI=1S/C26H25F4N7O/c1-36(2)16-7-9-37(10-8-16)25(38)17-5-3-14(11-18(17)27)21-13-32-23(31)22(33-21)24-34-19-6-4-15(26(28,29)30)12-20(19)35-24/h3-6,11-13,16H,7-10H2,1-2H3,(H2,31,32)(H,34,35) |
|---|
| InChIKey | UQXICKKZLBPRRI-UHFFFAOYSA-N |
|---|
| XLogP | 4.59 |
|---|
| TPSA | 104.03 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 527.53 |
| LogP ≤ 5 | 4.59 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone (CID 156907445) is [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nc5ccc(C(F)(F)F)cc5[nH]4)n3)cc2F)CC1.
What is the InChIKey of [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is UQXICKKZLBPRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N7O/c1-36(2)16-7-9-37(10-8-16)25(38)17-5-3-14(11-18(17)27)21-13-32-23(31)22(33-21)24-34-19-6-4-15(26(28,29)30)12-20(19)35-24/h3-6,11-13,16H,7-10H2,1-2H3,(H2,31,32)(H,34,35).
What are the key properties of [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 527.53 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 156907445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).