About N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide
N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375913) has the molecular formula C26H33F3N6O3
and a molecular weight of 534.58 g/mol. Its IUPAC name is N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide.
Molecular Properties
| Compound Name | N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide |
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| PubChem CID | 135375913 |
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| Molecular Formula | C26H33F3N6O3 |
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| Molecular Weight | 534.58 g/mol |
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| Exact Mass | 534.26 |
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| IUPAC Name | N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide |
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| SMILES | CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(C(F)(F)F)c(N5CCOCC5)c4)C3)C2)c1 |
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| InChI | InChI=1S/C26H33F3N6O3/c1-19(36)31(2)21-14-30-35(16-21)24(37)34-8-6-25(18-34)5-7-32(17-25)15-20-3-4-22(26(27,28)29)23(13-20)33-9-11-38-12-10-33/h3-4,13-14,16H,5-12,15,17-18H2,1-2H3 |
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| InChIKey | YKSAWMJQKACYOP-UHFFFAOYSA-N |
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| XLogP | 3.29 |
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| TPSA | 74.15 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 534.58 |
| LogP ≤ 5 | 3.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide (CID 135375913) is N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4ccc(C(F)(F)F)c(N5CCOCC5)c4)C3)C2)c1.
What is the InChIKey of N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is YKSAWMJQKACYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6O3/c1-19(36)31(2)21-14-30-35(16-21)24(37)34-8-6-25(18-34)5-7-32(17-25)15-20-3-4-22(26(27,28)29)23(13-20)33-9-11-38-12-10-33/h3-4,13-14,16H,5-12,15,17-18H2,1-2H3.
What are the key properties of N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide?
N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 534.58 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[7-[[3-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).