About 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone
2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone (PubChem CID 147281084) has the molecular formula C29H34FN5O2
and a molecular weight of 503.62 g/mol. Its IUPAC name is 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone.
Molecular Properties
| Compound Name | 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone |
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| PubChem CID | 147281084 |
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| Molecular Formula | C29H34FN5O2 |
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| Molecular Weight | 503.62 g/mol |
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| Exact Mass | 503.27 |
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| IUPAC Name | 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone |
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| SMILES | Cc1c(C(=O)Cc2cnc(C3=CCC(N4CCOCC4)CC3)c(F)c2)cnn1-c1ccc(C(C)C)cn1 |
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| InChI | InChI=1S/C29H34FN5O2/c1-19(2)23-6-9-28(31-17-23)35-20(3)25(18-33-35)27(36)15-21-14-26(30)29(32-16-21)22-4-7-24(8-5-22)34-10-12-37-13-11-34/h4,6,9,14,16-19,24H,5,7-8,10-13,15H2,1-3H3 |
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| InChIKey | CSHVSBMSXZUEBM-UHFFFAOYSA-N |
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| XLogP | 4.93 |
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| TPSA | 73.14 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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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 | 503.62 |
| LogP ≤ 5 | 4.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone?
The IUPAC name of 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone (CID 147281084) is 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone is Cc1c(C(=O)Cc2cnc(C3=CCC(N4CCOCC4)CC3)c(F)c2)cnn1-c1ccc(C(C)C)cn1.
What is the InChIKey of 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone?
The InChIKey is CSHVSBMSXZUEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O2/c1-19(2)23-6-9-28(31-17-23)35-20(3)25(18-33-35)27(36)15-21-14-26(30)29(32-16-21)22-4-7-24(8-5-22)34-10-12-37-13-11-34/h4,6,9,14,16-19,24H,5,7-8,10-13,15H2,1-3H3.
What are the key properties of 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone?
2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone has a molecular weight of 503.62 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 147281084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).