About (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide
(2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide (PubChem CID 146705841) has the molecular formula C29H37N7O3
and a molecular weight of 531.66 g/mol. Its IUPAC name is (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide.
Molecular Properties
| Compound Name | (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide |
|---|
| PubChem CID | 146705841 |
|---|
| Molecular Formula | C29H37N7O3 |
|---|
| Molecular Weight | 531.66 g/mol |
|---|
| Exact Mass | 531.30 |
|---|
| IUPAC Name | (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide |
|---|
| SMILES | COCCN1CCN([C@H](C)C(=O)Nc2cccc3c2CC=C3c2ccnc(Cc3cn(C)nc3OC)n2)CC1 |
|---|
| InChI | InChI=1S/C29H37N7O3/c1-20(36-14-12-35(13-15-36)16-17-38-3)28(37)32-25-7-5-6-22-23(25)8-9-24(22)26-10-11-30-27(31-26)18-21-19-34(2)33-29(21)39-4/h5-7,9-11,19-20H,8,12-18H2,1-4H3,(H,32,37)/t20-/m1/s1 |
|---|
| InChIKey | QYABSMKYGQIJES-HXUWFJFHSA-N |
|---|
| XLogP | 2.39 |
|---|
| TPSA | 97.64 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 531.66 |
| LogP ≤ 5 | 2.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide 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 (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide?
The IUPAC name of (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide (CID 146705841) is (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide?
The canonical SMILES for (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide is COCCN1CCN([C@H](C)C(=O)Nc2cccc3c2CC=C3c2ccnc(Cc3cn(C)nc3OC)n2)CC1.
What is the InChIKey of (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide?
The InChIKey is QYABSMKYGQIJES-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H37N7O3/c1-20(36-14-12-35(13-15-36)16-17-38-3)28(37)32-25-7-5-6-22-23(25)8-9-24(22)26-10-11-30-27(31-26)18-21-19-34(2)33-29(21)39-4/h5-7,9-11,19-20H,8,12-18H2,1-4H3,(H,32,37)/t20-/m1/s1.
What are the key properties of (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide?
(2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide has a molecular weight of 531.66 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide is sourced from PubChem (CID 146705841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).