About 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one (PubChem CID 73388704) has the molecular formula C28H27FN4O2
and a molecular weight of 470.55 g/mol. Its IUPAC name is 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one.
Molecular Properties
| Compound Name | 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one |
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| PubChem CID | 73388704 |
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| Molecular Formula | C28H27FN4O2 |
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| Molecular Weight | 470.55 g/mol |
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| Exact Mass | 470.21 |
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| IUPAC Name | 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one |
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| SMILES | Cn1ccc2cc(-c3ccc(C4=NC5(CC5)C(=O)N4CC4CN(C(=O)C5CC5)C4)c(F)c3)ccc21 |
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| InChI | InChI=1S/C28H27FN4O2/c1-31-11-8-21-12-19(5-7-24(21)31)20-4-6-22(23(29)13-20)25-30-28(9-10-28)27(35)33(25)16-17-14-32(15-17)26(34)18-2-3-18/h4-8,11-13,17-18H,2-3,9-10,14-16H2,1H3 |
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| InChIKey | DLBKDWILJIFEBA-UHFFFAOYSA-N |
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| XLogP | 3.97 |
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| TPSA | 57.91 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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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
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 470.55 |
| LogP ≤ 5 | 3.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Analyze 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
The IUPAC name of 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one (CID 73388704) is 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one.
What is the SMILES notation for 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
The canonical SMILES for 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one is Cn1ccc2cc(-c3ccc(C4=NC5(CC5)C(=O)N4CC4CN(C(=O)C5CC5)C4)c(F)c3)ccc21.
What is the InChIKey of 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
The InChIKey is DLBKDWILJIFEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c1-31-11-8-21-12-19(5-7-24(21)31)20-4-6-22(23(29)13-20)25-30-28(9-10-28)27(35)33(25)16-17-14-32(15-17)26(34)18-2-3-18/h4-8,11-13,17-18H,2-3,9-10,14-16H2,1H3.
What are the key properties of 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one?
6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one has a molecular weight of 470.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one is sourced from PubChem (CID 73388704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).