About N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide
N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide (PubChem CID 88973858) has the molecular formula C26H24N8O4
and a molecular weight of 512.53 g/mol. Its IUPAC name is N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide.
Molecular Properties
| Compound Name | N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide |
|---|
| PubChem CID | 88973858 |
|---|
| Molecular Formula | C26H24N8O4 |
|---|
| Molecular Weight | 512.53 g/mol |
|---|
| Exact Mass | 512.19 |
|---|
| IUPAC Name | N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide |
|---|
| SMILES | COc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(-c3cncc(-c4nnn(C)n4)c3)cc1)C2 |
|---|
| InChI | InChI=1S/C26H24N8O4/c1-33-31-24(30-32-33)20-9-19(11-27-12-20)16-3-5-17(6-4-16)23(29-26(37)28-15-35)14-34-13-18-7-8-21(38-2)10-22(18)25(34)36/h3-12,15,23H,13-14H2,1-2H3,(H2,28,29,35,37)/t23-/m0/s1 |
|---|
| InChIKey | YNERWFUXUFMSHY-QHCPKHFHSA-N |
|---|
| XLogP | 2.10 |
|---|
| TPSA | 144.23 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 512.53 |
| LogP ≤ 5 | 2.10 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
|---|
Analyze N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide 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 N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide?
The IUPAC name of N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide (CID 88973858) is N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide.
What is the SMILES notation for N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide?
The canonical SMILES for N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide is COc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(-c3cncc(-c4nnn(C)n4)c3)cc1)C2.
What is the InChIKey of N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide?
The InChIKey is YNERWFUXUFMSHY-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24N8O4/c1-33-31-24(30-32-33)20-9-19(11-27-12-20)16-3-5-17(6-4-16)23(29-26(37)28-15-35)14-34-13-18-7-8-21(38-2)10-22(18)25(34)36/h3-12,15,23H,13-14H2,1-2H3,(H2,28,29,35,37)/t23-/m0/s1.
What are the key properties of N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide?
N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide has a molecular weight of 512.53 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide is sourced from PubChem (CID 88973858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).