About (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone
(4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone (PubChem CID 134324440) has the molecular formula C24H29F3N8O3
and a molecular weight of 534.54 g/mol. Its IUPAC name is (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone.
Molecular Properties
| Compound Name | (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone |
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| PubChem CID | 134324440 |
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| Molecular Formula | C24H29F3N8O3 |
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| Molecular Weight | 534.54 g/mol |
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| Exact Mass | 534.23 |
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| IUPAC Name | (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone |
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| SMILES | O=C(c1nc2nc(-c3cn[nH]c3C(F)(F)F)cc(N3CCOCC3)c2[nH]1)N1CCC(N2CCOCC2)CC1 |
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| InChI | InChI=1S/C24H29F3N8O3/c25-24(26,27)20-16(14-28-32-20)17-13-18(34-7-11-38-12-8-34)19-21(29-17)31-22(30-19)23(36)35-3-1-15(2-4-35)33-5-9-37-10-6-33/h13-15H,1-12H2,(H,28,32)(H,29,30,31) |
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| InChIKey | JOXGQVXHYGSRCH-UHFFFAOYSA-N |
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| XLogP | 2.14 |
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| TPSA | 115.50 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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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 | 534.54 |
| LogP ≤ 5 | 2.14 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone?
The IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone (CID 134324440) is (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone.
What is the SMILES notation for (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone?
The canonical SMILES for (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone is O=C(c1nc2nc(-c3cn[nH]c3C(F)(F)F)cc(N3CCOCC3)c2[nH]1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone?
The InChIKey is JOXGQVXHYGSRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N8O3/c25-24(26,27)20-16(14-28-32-20)17-13-18(34-7-11-38-12-8-34)19-21(29-17)31-22(30-19)23(36)35-3-1-15(2-4-35)33-5-9-37-10-6-33/h13-15H,1-12H2,(H,28,32)(H,29,30,31).
What are the key properties of (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone?
(4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone has a molecular weight of 534.54 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylpiperidin-1-yl)-[7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methanone is sourced from PubChem (CID 134324440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).