About methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate
methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate (PubChem CID 59278103) has the molecular formula C25H24FN5O5S
and a molecular weight of 525.56 g/mol. Its IUPAC name is methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate.
Molecular Properties
| Compound Name | methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate |
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| PubChem CID | 59278103 |
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| Molecular Formula | C25H24FN5O5S |
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| Molecular Weight | 525.56 g/mol |
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| Exact Mass | 525.15 |
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| IUPAC Name | methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate |
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| SMILES | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(S(=O)(=O)CCC(=O)OC)n1 |
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| InChI | InChI=1S/C25H24FN5O5S/c1-3-20(21-5-4-6-23(29-21)37(34,35)12-11-24(32)36-2)30-25(33)19-13-27-15-22-18(19)14-28-31(22)17-9-7-16(26)8-10-17/h4-10,13-15,20H,3,11-12H2,1-2H3,(H,30,33)/t20-/m0/s1 |
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| InChIKey | SCZZVFPBXDHKIV-FQEVSTJZSA-N |
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| XLogP | 3.17 |
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| TPSA | 133.14 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 9 |
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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 | 525.56 |
| LogP ≤ 5 | 3.17 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate?
The IUPAC name of methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate (CID 59278103) is methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate.
What is the SMILES notation for methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate?
The canonical SMILES for methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(S(=O)(=O)CCC(=O)OC)n1.
What is the InChIKey of methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate?
The InChIKey is SCZZVFPBXDHKIV-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H24FN5O5S/c1-3-20(21-5-4-6-23(29-21)37(34,35)12-11-24(32)36-2)30-25(33)19-13-27-15-22-18(19)14-28-31(22)17-9-7-16(26)8-10-17/h4-10,13-15,20H,3,11-12H2,1-2H3,(H,30,33)/t20-/m0/s1.
What are the key properties of methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate?
methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate has a molecular weight of 525.56 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-2-pyridinyl]sulfonyl]propanoate is sourced from PubChem (CID 59278103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).