About 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334457) has the molecular formula C29H27FN8O4
and a molecular weight of 570.59 g/mol. Its IUPAC name is 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
Molecular Properties
| Compound Name | 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide |
|---|
| PubChem CID | 118334457 |
|---|
| Molecular Formula | C29H27FN8O4 |
|---|
| Molecular Weight | 570.59 g/mol |
|---|
| Exact Mass | 570.21 |
|---|
| IUPAC Name | 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide |
|---|
| SMILES | CCN1Cc2ccc(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)cc2C1=O |
|---|
| InChI | InChI=1S/C29H27FN8O4/c1-2-36-13-18-3-5-20(11-21(18)29(36)42)34-28(41)24-10-19(30)14-37(24)25(39)15-38-23-6-4-16(17-7-8-32-33-12-17)9-22(23)26(35-38)27(31)40/h3-9,11-12,19,24H,2,10,13-15H2,1H3,(H2,31,40)(H,34,41) |
|---|
| InChIKey | LLTGCHLKDXDRGR-UHFFFAOYSA-N |
|---|
| XLogP | 2.15 |
|---|
| TPSA | 156.41 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 570.59 |
| LogP ≤ 5 | 2.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-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 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334457) is 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is CCN1Cc2ccc(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)cc2C1=O.
What is the InChIKey of 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is LLTGCHLKDXDRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN8O4/c1-2-36-13-18-3-5-20(11-21(18)29(36)42)34-28(41)24-10-19(30)14-37(24)25(39)15-38-23-6-4-16(17-7-8-32-33-12-17)9-22(23)26(35-38)27(31)40/h3-9,11-12,19,24H,2,10,13-15H2,1H3,(H2,31,40)(H,34,41).
What are the key properties of 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 570.59 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2-ethyl-3-oxo-1H-isoindol-5-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).