About 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 67979594) has the molecular formula C30H33N5O4S
and a molecular weight of 559.69 g/mol. Its IUPAC name is 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one.
Molecular Properties
| Compound Name | 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one |
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| PubChem CID | 67979594 |
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| Molecular Formula | C30H33N5O4S |
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| Molecular Weight | 559.69 g/mol |
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| Exact Mass | 559.23 |
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| IUPAC Name | 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one |
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| SMILES | COc1cc(C)nc(N2CCC3(CCCN(Cc4cn(S(=O)(=O)c5ccc(C)cc5)c5ccccc45)C3=O)C2)n1 |
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| InChI | InChI=1S/C30H33N5O4S/c1-21-9-11-24(12-10-21)40(37,38)35-19-23(25-7-4-5-8-26(25)35)18-33-15-6-13-30(28(33)36)14-16-34(20-30)29-31-22(2)17-27(32-29)39-3/h4-5,7-12,17,19H,6,13-16,18,20H2,1-3H3 |
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| InChIKey | SNZUXIVGSUHVDM-UHFFFAOYSA-N |
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| XLogP | 4.31 |
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| TPSA | 97.63 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 559.69 |
| LogP ≤ 5 | 4.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 67979594) is 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one is COc1cc(C)nc(N2CCC3(CCCN(Cc4cn(S(=O)(=O)c5ccc(C)cc5)c5ccccc45)C3=O)C2)n1.
What is the InChIKey of 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SNZUXIVGSUHVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O4S/c1-21-9-11-24(12-10-21)40(37,38)35-19-23(25-7-4-5-8-26(25)35)18-33-15-6-13-30(28(33)36)14-16-34(20-30)29-31-22(2)17-27(32-29)39-3/h4-5,7-12,17,19H,6,13-16,18,20H2,1-3H3.
What are the key properties of 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 559.69 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 67979594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).