About 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 2918720) has the molecular formula C24H17N5O4
and a molecular weight of 439.43 g/mol. Its IUPAC name is 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Molecular Properties
| Compound Name | 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile |
|---|
| PubChem CID | 2918720 |
|---|
| Molecular Formula | C24H17N5O4 |
|---|
| Molecular Weight | 439.43 g/mol |
|---|
| Exact Mass | 439.13 |
|---|
| IUPAC Name | 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile |
|---|
| SMILES | Cc1nn(-c2ccccc2)c2c1C(c1ccc(-c3ccccc3[N+](=O)[O-])o1)C(C#N)=C(N)O2 |
|---|
| InChI | InChI=1S/C24H17N5O4/c1-14-21-22(20-12-11-19(32-20)16-9-5-6-10-18(16)29(30)31)17(13-25)23(26)33-24(21)28(27-14)15-7-3-2-4-8-15/h2-12,22H,26H2,1H3 |
|---|
| InChIKey | PISTYPWVNFHAGE-UHFFFAOYSA-N |
|---|
| XLogP | 4.57 |
|---|
| TPSA | 133.14 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 439.43 |
| LogP ≤ 5 | 4.57 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'dhp_amino_CN_B(9)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile 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 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 2918720) is 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is Cc1nn(-c2ccccc2)c2c1C(c1ccc(-c3ccccc3[N+](=O)[O-])o1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is PISTYPWVNFHAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O4/c1-14-21-22(20-12-11-19(32-20)16-9-5-6-10-18(16)29(30)31)17(13-25)23(26)33-24(21)28(27-14)15-7-3-2-4-8-15/h2-12,22H,26H2,1H3.
What are the key properties of 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 439.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 2918720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).