About N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide
N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 137033930) has the molecular formula C26H22FN7O2S
and a molecular weight of 515.57 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide.
Molecular Properties
| Compound Name | N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide |
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| PubChem CID | 137033930 |
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| Molecular Formula | C26H22FN7O2S |
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| Molecular Weight | 515.57 g/mol |
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| Exact Mass | 515.15 |
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| IUPAC Name | N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide |
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| SMILES | Cn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)c3c2)cn1 |
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| InChI | InChI=1S/C26H22FN7O2S/c1-34-14-18(13-29-34)16-3-4-23-20(10-16)26(33-32-23)24-11-21-22(31-24)5-6-28-25(21)17-7-15(8-19(27)9-17)12-30-37(2,35)36/h3-11,13-14,30-31H,12H2,1-2H3,(H,32,33) |
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| InChIKey | SYVSRRAICFCMLZ-UHFFFAOYSA-N |
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| XLogP | 4.36 |
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| TPSA | 121.35 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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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 | 515.57 |
| LogP ≤ 5 | 4.36 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-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-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide (CID 137033930) is N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is Cn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)c3c2)cn1.
What is the InChIKey of N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is SYVSRRAICFCMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O2S/c1-34-14-18(13-29-34)16-3-4-23-20(10-16)26(33-32-23)24-11-21-22(31-24)5-6-28-25(21)17-7-15(8-19(27)9-17)12-30-37(2,35)36/h3-11,13-14,30-31H,12H2,1-2H3,(H,32,33).
What are the key properties of N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 515.57 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137033930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).