About N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 137037967) has the molecular formula C27H21FN6O3S
and a molecular weight of 528.57 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide.
Molecular Properties
| Compound Name | N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide |
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| PubChem CID | 137037967 |
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| Molecular Formula | C27H21FN6O3S |
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| Molecular Weight | 528.57 g/mol |
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| Exact Mass | 528.14 |
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| IUPAC Name | N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide |
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| SMILES | CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1 |
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| InChI | InChI=1S/C27H21FN6O3S/c1-38(36,37)31-10-15-4-17(6-19(28)5-15)23-13-30-14-26-21(23)9-25(32-26)27-22-8-16(2-3-24(22)33-34-27)18-7-20(35)12-29-11-18/h2-9,11-14,31-32,35H,10H2,1H3,(H,33,34) |
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| InChIKey | IJLSRDXILBHAKF-UHFFFAOYSA-N |
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| XLogP | 4.73 |
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| TPSA | 136.65 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 528.57 |
| LogP ≤ 5 | 4.73 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (CID 137037967) is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is IJLSRDXILBHAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O3S/c1-38(36,37)31-10-15-4-17(6-19(28)5-15)23-13-30-14-26-21(23)9-25(32-26)27-22-8-16(2-3-24(22)33-34-27)18-7-20(35)12-29-11-18/h2-9,11-14,31-32,35H,10H2,1H3,(H,33,34).
What are the key properties of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 528.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137037967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).