About 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide
2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 138687287) has the molecular formula C26H22F3N5O3
and a molecular weight of 509.49 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide.
Molecular Properties
| Compound Name | 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide |
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| PubChem CID | 138687287 |
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| Molecular Formula | C26H22F3N5O3 |
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| Molecular Weight | 509.49 g/mol |
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| Exact Mass | 509.17 |
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| IUPAC Name | 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide |
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| SMILES | Cn1cc(-n2ncc3cc(N4C(=O)CC(NC(=O)C(C)(F)F)C4c4ccccc4F)ccc32)ccc1=O |
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| InChI | InChI=1S/C26H22F3N5O3/c1-26(28,29)25(37)31-20-12-23(36)33(24(20)18-5-3-4-6-19(18)27)16-7-9-21-15(11-16)13-30-34(21)17-8-10-22(35)32(2)14-17/h3-11,13-14,20,24H,12H2,1-2H3,(H,31,37) |
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| InChIKey | JEWRKENUIQWVRM-UHFFFAOYSA-N |
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| XLogP | 3.48 |
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| TPSA | 89.23 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 509.49 |
| LogP ≤ 5 | 3.48 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide (CID 138687287) is 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide is Cn1cc(-n2ncc3cc(N4C(=O)CC(NC(=O)C(C)(F)F)C4c4ccccc4F)ccc32)ccc1=O.
What is the InChIKey of 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is JEWRKENUIQWVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O3/c1-26(28,29)25(37)31-20-12-23(36)33(24(20)18-5-3-4-6-19(18)27)16-7-9-21-15(11-16)13-30-34(21)17-8-10-22(35)32(2)14-17/h3-11,13-14,20,24H,12H2,1-2H3,(H,31,37).
What are the key properties of 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 509.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(2-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138687287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).