About (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
(2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 164515102) has the molecular formula C32H33N7O2
and a molecular weight of 547.66 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide.
Molecular Properties
| Compound Name | (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide |
|---|
| PubChem CID | 164515102 |
|---|
| Molecular Formula | C32H33N7O2 |
|---|
| Molecular Weight | 547.66 g/mol |
|---|
| Exact Mass | 547.27 |
|---|
| IUPAC Name | (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide |
|---|
| SMILES | C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(CC(=O)N3CCCC3)c2)cn1)c1ccccc1)c1ccc(C#N)cc1 |
|---|
| InChI | InChI=1S/C32H33N7O2/c1-23(25-11-9-24(17-33)10-12-25)18-35-31(26-7-3-2-4-8-26)32(41)37-29-14-13-27(19-34-29)28-20-36-39(21-28)22-30(40)38-15-5-6-16-38/h2-4,7-14,19-21,23,31,35H,5-6,15-16,18,22H2,1H3,(H,34,37,41)/t23-,31-/m1/s1 |
|---|
| InChIKey | OHGJQTVLKQXBIW-SLGOVJDISA-N |
|---|
| XLogP | 4.51 |
|---|
| TPSA | 115.94 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 41 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 547.66 |
| LogP ≤ 5 | 4.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide 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-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide (CID 164515102) is (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide is C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(CC(=O)N3CCCC3)c2)cn1)c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is OHGJQTVLKQXBIW-SLGOVJDISA-N. The full InChI is InChI=1S/C32H33N7O2/c1-23(25-11-9-24(17-33)10-12-25)18-35-31(26-7-3-2-4-8-26)32(41)37-29-14-13-27(19-34-29)28-20-36-39(21-28)22-30(40)38-15-5-6-16-38/h2-4,7-14,19-21,23,31,35H,5-6,15-16,18,22H2,1H3,(H,34,37,41)/t23-,31-/m1/s1.
What are the key properties of (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
(2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 547.66 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 164515102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).