About N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 154641982) has the molecular formula C28H24FN7O2
and a molecular weight of 509.55 g/mol. Its IUPAC name is N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide |
|---|
| PubChem CID | 154641982 |
|---|
| Molecular Formula | C28H24FN7O2 |
|---|
| Molecular Weight | 509.55 g/mol |
|---|
| Exact Mass | 509.20 |
|---|
| IUPAC Name | N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide |
|---|
| SMILES | C[C@@H]1C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(c2ccn(C)n2)[C@H]1NC(=O)c1cccnc1 |
|---|
| InChI | InChI=1S/C28H24FN7O2/c1-17-25(32-27(37)18-4-3-12-30-15-18)26(23-11-13-34(2)33-23)35(28(17)38)22-9-10-24-19(14-22)16-31-36(24)21-7-5-20(29)6-8-21/h3-17,25-26H,1-2H3,(H,32,37)/t17-,25-,26?/m0/s1 |
|---|
| InChIKey | DMKRINNGJSJRBR-KCTBTLBISA-N |
|---|
| XLogP | 3.82 |
|---|
| TPSA | 97.94 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 509.55 |
| LogP ≤ 5 | 3.82 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-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-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (CID 154641982) is N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is C[C@@H]1C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(c2ccn(C)n2)[C@H]1NC(=O)c1cccnc1.
What is the InChIKey of N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is DMKRINNGJSJRBR-KCTBTLBISA-N. The full InChI is InChI=1S/C28H24FN7O2/c1-17-25(32-27(37)18-4-3-12-30-15-18)26(23-11-13-34(2)33-23)35(28(17)38)22-9-10-24-19(14-22)16-31-36(24)21-7-5-20(29)6-8-21/h3-17,25-26H,1-2H3,(H,32,37)/t17-,25-,26?/m0/s1.
What are the key properties of N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 509.55 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-2-(1-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154641982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).