About (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
(5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one (PubChem CID 130469686) has the molecular formula C23H24F3N7O
and a molecular weight of 471.49 g/mol. Its IUPAC name is (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one.
Molecular Properties
| Compound Name | (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one |
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| PubChem CID | 130469686 |
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| Molecular Formula | C23H24F3N7O |
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| Molecular Weight | 471.49 g/mol |
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| Exact Mass | 471.20 |
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| IUPAC Name | (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one |
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| SMILES | CC(C)[C@H]1CNC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccnc(C(F)(F)F)c3)cn2)n1 |
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| InChI | InChI=1S/C23H24F3N7O/c1-13(2)18-12-30-22(34)33(18)20-7-9-28-21(32-20)31-14(3)17-5-4-16(11-29-17)15-6-8-27-19(10-15)23(24,25)26/h4-11,13-14,18H,12H2,1-3H3,(H,30,34)(H,28,31,32)/t14-,18+/m0/s1 |
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| InChIKey | CPXJYTXMHUPWMN-KBXCAEBGSA-N |
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| XLogP | 4.68 |
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| TPSA | 95.93 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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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 | 471.49 |
| LogP ≤ 5 | 4.68 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
The IUPAC name of (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one (CID 130469686) is (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
The canonical SMILES for (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one is CC(C)[C@H]1CNC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccnc(C(F)(F)F)c3)cn2)n1.
What is the InChIKey of (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
The InChIKey is CPXJYTXMHUPWMN-KBXCAEBGSA-N. The full InChI is InChI=1S/C23H24F3N7O/c1-13(2)18-12-30-22(34)33(18)20-7-9-28-21(32-20)31-14(3)17-5-4-16(11-29-17)15-6-8-27-19(10-15)23(24,25)26/h4-11,13-14,18H,12H2,1-3H3,(H,30,34)(H,28,31,32)/t14-,18+/m0/s1.
What are the key properties of (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
(5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one has a molecular weight of 471.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 130469686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).