About (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide
(R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 177370512) has the molecular formula C23H28N6OS
and a molecular weight of 436.59 g/mol. Its IUPAC name is (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide.
Molecular Properties
| Compound Name | (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide |
|---|
| PubChem CID | 177370512 |
|---|
| Molecular Formula | C23H28N6OS |
|---|
| Molecular Weight | 436.59 g/mol |
|---|
| Exact Mass | 436.20 |
|---|
| IUPAC Name | (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide |
|---|
| SMILES | CC(=N[S@](=O)C(C)(C)C)c1cc(C)cc2c1nc(N1CCCCC1)n1cc(C#N)nc21 |
|---|
| InChI | InChI=1S/C23H28N6OS/c1-15-11-18(16(2)27-31(30)23(3,4)5)20-19(12-15)21-25-17(13-24)14-29(21)22(26-20)28-9-7-6-8-10-28/h11-12,14H,6-10H2,1-5H3/t31-/m1/s1 |
|---|
| InChIKey | VRTQGNPESCZPDZ-WJOKGBTCSA-N |
|---|
| XLogP | 4.32 |
|---|
| TPSA | 86.65 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 3 |
|---|
| Heavy Atoms | 31 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 436.59 |
| LogP ≤ 5 | 4.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
Analyze (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide 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 (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide (CID 177370512) is (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide is CC(=N[S@](=O)C(C)(C)C)c1cc(C)cc2c1nc(N1CCCCC1)n1cc(C#N)nc21.
What is the InChIKey of (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is VRTQGNPESCZPDZ-WJOKGBTCSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-15-11-18(16(2)27-31(30)23(3,4)5)20-19(12-15)21-25-17(13-24)14-29(21)22(26-20)28-9-7-6-8-10-28/h11-12,14H,6-10H2,1-5H3/t31-/m1/s1.
What are the key properties of (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 436.59 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-(2-cyano-9-methyl-5-piperidin-1-ylimidazo[1,2-c]quinazolin-7-yl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 177370512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).