About N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162362316) has the molecular formula C25H32N8O2
and a molecular weight of 476.59 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
Molecular Properties
| Compound Name | N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide |
|---|
| PubChem CID | 162362316 |
|---|
| Molecular Formula | C25H32N8O2 |
|---|
| Molecular Weight | 476.59 g/mol |
|---|
| Exact Mass | 476.26 |
|---|
| IUPAC Name | N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide |
|---|
| SMILES | Cc1nnn(C2CC2)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)nc1 |
|---|
| InChI | InChI=1S/C25H32N8O2/c1-16-23(33(31-30-16)19-10-11-19)18-9-12-21(26-15-18)28-25(35)22(17-7-5-3-4-6-8-17)29-24(34)20-13-14-27-32(20)2/h9,12-15,17,19,22H,3-8,10-11H2,1-2H3,(H,29,34)(H,26,28,35)/t22-/m0/s1 |
|---|
| InChIKey | GNFZGVYDQKQHSN-QFIPXVFZSA-N |
|---|
| XLogP | 3.42 |
|---|
| TPSA | 119.62 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 476.59 |
| LogP ≤ 5 | 3.42 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide 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-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 162362316) is N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1nnn(C2CC2)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)nc1.
What is the InChIKey of N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is GNFZGVYDQKQHSN-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-16-23(33(31-30-16)19-10-11-19)18-9-12-21(26-15-18)28-25(35)22(17-7-5-3-4-6-8-17)29-24(34)20-13-14-27-32(20)2/h9,12-15,17,19,22H,3-8,10-11H2,1-2H3,(H,29,34)(H,26,28,35)/t22-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 476.59 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162362316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).