About (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one
(7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 146344789) has the molecular formula C20H14F4N4O2
and a molecular weight of 418.35 g/mol. Its IUPAC name is (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one.
Molecular Properties
| Compound Name | (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one |
|---|
| PubChem CID | 146344789 |
|---|
| Molecular Formula | C20H14F4N4O2 |
|---|
| Molecular Weight | 418.35 g/mol |
|---|
| Exact Mass | 418.11 |
|---|
| IUPAC Name | (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one |
|---|
| SMILES | Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)/C3=C\c2ccc(F)cc2C(F)(F)F)o1 |
|---|
| InChI | InChI=1S/C20H14F4N4O2/c1-9-3-6-14(30-9)17-15-16(26-19(25)27-17)13(28(2)18(15)29)7-10-4-5-11(21)8-12(10)20(22,23)24/h3-8H,1-2H3,(H2,25,26,27)/b13-7- |
|---|
| InChIKey | UFLOXBJWGCADBL-QPEQYQDCSA-N |
|---|
| XLogP | 4.37 |
|---|
| TPSA | 85.25 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 30 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 418.35 |
| LogP ≤ 5 | 4.37 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one 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 (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one (CID 146344789) is (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)N(C)/C3=C\c2ccc(F)cc2C(F)(F)F)o1.
What is the InChIKey of (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is UFLOXBJWGCADBL-QPEQYQDCSA-N. The full InChI is InChI=1S/C20H14F4N4O2/c1-9-3-6-14(30-9)17-15-16(26-19(25)27-17)13(28(2)18(15)29)7-10-4-5-11(21)8-12(10)20(22,23)24/h3-8H,1-2H3,(H2,25,26,27)/b13-7-.
What are the key properties of (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one?
(7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 418.35 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2-amino-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).