About sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride
sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride (PubChem CID 175340147) has the molecular formula C23H23N6NaO4S
and a molecular weight of 502.53 g/mol. Its IUPAC name is sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride.
Molecular Properties
| Compound Name | sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride |
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| PubChem CID | 175340147 |
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| Molecular Formula | C23H23N6NaO4S |
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| Molecular Weight | 502.53 g/mol |
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| Exact Mass | 502.14 |
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| IUPAC Name | sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride |
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| SMILES | CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)ncc1=O.[H-].[Na+] |
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| InChI | InChI=1S/C23H22N6O4S.Na.H/c1-14(2)29-13-20(26-12-21(29)30)34(32,33)28-23(31)27-22-18-5-3-4-15(18)6-7-19(22)16-8-9-25-17(10-16)11-24;;/h6-10,12-14H,3-5H2,1-2H3,(H2,27,28,31);;/q;+1;-1 |
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| InChIKey | SPVKCZZFVGGZJP-UHFFFAOYSA-N |
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| XLogP | -0.13 |
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| TPSA | 146.84 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 502.53 |
| LogP ≤ 5 | -0.13 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride with MolForge
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Frequently Asked Questions
What is the IUPAC name of sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride?
The IUPAC name of sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride (CID 175340147) is sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride.
What is the SMILES notation for sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride?
The canonical SMILES for sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride is CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)ncc1=O.[H-].[Na+].
What is the InChIKey of sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride?
The InChIKey is SPVKCZZFVGGZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S.Na.H/c1-14(2)29-13-20(26-12-21(29)30)34(32,33)28-23(31)27-22-18-5-3-4-15(18)6-7-19(22)16-8-9-25-17(10-16)11-24;;/h6-10,12-14H,3-5H2,1-2H3,(H2,27,28,31);;/q;+1;-1.
What are the key properties of sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride?
sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride has a molecular weight of 502.53 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride is sourced from PubChem (CID 175340147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).