About [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
[2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone (PubChem CID 76668012) has the molecular formula C26H30FN7O
and a molecular weight of 475.57 g/mol. Its IUPAC name is [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone.
Molecular Properties
| Compound Name | [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone |
|---|
| PubChem CID | 76668012 |
|---|
| Molecular Formula | C26H30FN7O |
|---|
| Molecular Weight | 475.57 g/mol |
|---|
| Exact Mass | 475.25 |
|---|
| IUPAC Name | [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone |
|---|
| SMILES | Cc1cn2nc(C3CCCCN3C(=O)c3[nH]c4ccc(F)cc4c3C)cc2nc1N1CCC(N)C1 |
|---|
| InChI | InChI=1S/C26H30FN7O/c1-15-13-34-23(30-25(15)32-10-8-18(28)14-32)12-21(31-34)22-5-3-4-9-33(22)26(35)24-16(2)19-11-17(27)6-7-20(19)29-24/h6-7,11-13,18,22,29H,3-5,8-10,14,28H2,1-2H3 |
|---|
| InChIKey | FABZQDRESHRKKL-UHFFFAOYSA-N |
|---|
| XLogP | 3.87 |
|---|
| TPSA | 95.55 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 3 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 475.57 |
| LogP ≤ 5 | 3.87 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'} |
|---|
Analyze [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone 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-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone (CID 76668012) is [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone is Cc1cn2nc(C3CCCCN3C(=O)c3[nH]c4ccc(F)cc4c3C)cc2nc1N1CCC(N)C1.
What is the InChIKey of [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
The InChIKey is FABZQDRESHRKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O/c1-15-13-34-23(30-25(15)32-10-8-18(28)14-32)12-21(31-34)22-5-3-4-9-33(22)26(35)24-16(2)19-11-17(27)6-7-20(19)29-24/h6-7,11-13,18,22,29H,3-5,8-10,14,28H2,1-2H3.
What are the key properties of [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
[2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone has a molecular weight of 475.57 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 76668012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).