About N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide
N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide (PubChem CID 118725615) has the molecular formula C25H25FN6O3S
and a molecular weight of 508.58 g/mol. Its IUPAC name is N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide.
Molecular Properties
| Compound Name | N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide |
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| PubChem CID | 118725615 |
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| Molecular Formula | C25H25FN6O3S |
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| Molecular Weight | 508.58 g/mol |
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| Exact Mass | 508.17 |
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| IUPAC Name | N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide |
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| SMILES | CS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c(F)c1 |
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| InChI | InChI=1S/C25H25FN6O3S/c1-36(33,34)32-16-3-4-17(19(26)11-16)15-2-5-20-18(10-15)24(31-30-20)21-12-28-14-23(29-21)35-22-13-27-9-8-25(22)6-7-25/h2-5,10-12,14,22,27,32H,6-9,13H2,1H3,(H,30,31)/t22-/m0/s1 |
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| InChIKey | UZKVHHUKSZZZFF-QFIPXVFZSA-N |
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| XLogP | 3.72 |
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| TPSA | 121.89 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 508.58 |
| LogP ≤ 5 | 3.72 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide (CID 118725615) is N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)c(F)c1.
What is the InChIKey of N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide?
The InChIKey is UZKVHHUKSZZZFF-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25FN6O3S/c1-36(33,34)32-16-3-4-17(19(26)11-16)15-2-5-20-18(10-15)24(31-30-20)21-12-28-14-23(29-21)35-22-13-27-9-8-25(22)6-7-25/h2-5,10-12,14,22,27,32H,6-9,13H2,1H3,(H,30,31)/t22-/m0/s1.
What are the key properties of N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide?
N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide has a molecular weight of 508.58 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 118725615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).