About (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium
(2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium (PubChem CID 68843362) has the molecular formula C38H44N4O8P+
and a molecular weight of 715.76 g/mol. Its IUPAC name is (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium.
Molecular Properties
| Compound Name | (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium |
|---|
| PubChem CID | 68843362 |
|---|
| Molecular Formula | C38H44N4O8P+ |
|---|
| Molecular Weight | 715.76 g/mol |
|---|
| Exact Mass | 715.29 |
|---|
| IUPAC Name | (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium |
|---|
| SMILES | Cc1ccccc1[P+](=O)Oc1ccc2c(c1)c(-c1cc3cc(OCCN4CCOCC4)ccc3n1C(=O)OC(C)(C)C)nn2C(=O)OC(C)(C)C |
|---|
| InChI | InChI=1S/C38H44N4O8P/c1-25-10-8-9-11-33(25)51(45)50-28-13-15-31-29(24-28)34(39-42(31)36(44)49-38(5,6)7)32-23-26-22-27(47-21-18-40-16-19-46-20-17-40)12-14-30(26)41(32)35(43)48-37(2,3)4/h8-15,22-24H,16-21H2,1-7H3/q+1 |
|---|
| InChIKey | XVGYMRQGNLDYMM-UHFFFAOYSA-N |
|---|
| XLogP | 7.69 |
|---|
| TPSA | 123.35 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 12 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 51 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 715.76 |
| LogP ≤ 5 | 7.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
Analyze (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium 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 (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium?
The IUPAC name of (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium (CID 68843362) is (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium.
What is the SMILES notation for (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium?
The canonical SMILES for (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium is Cc1ccccc1[P+](=O)Oc1ccc2c(c1)c(-c1cc3cc(OCCN4CCOCC4)ccc3n1C(=O)OC(C)(C)C)nn2C(=O)OC(C)(C)C.
What is the InChIKey of (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium?
The InChIKey is XVGYMRQGNLDYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N4O8P/c1-25-10-8-9-11-33(25)51(45)50-28-13-15-31-29(24-28)34(39-42(31)36(44)49-38(5,6)7)32-23-26-22-27(47-21-18-40-16-19-46-20-17-40)12-14-30(26)41(32)35(43)48-37(2,3)4/h8-15,22-24H,16-21H2,1-7H3/q+1.
What are the key properties of (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium?
(2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium has a molecular weight of 715.76 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-morpholin-4-ylethoxy)indol-2-yl]indazol-5-yl]oxy-oxophosphanium is sourced from PubChem (CID 68843362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).