About [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
[6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 134324547) has the molecular formula C23H29FN8O3
and a molecular weight of 484.54 g/mol. Its IUPAC name is [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
Molecular Properties
| Compound Name | [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone |
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| PubChem CID | 134324547 |
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| Molecular Formula | C23H29FN8O3 |
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| Molecular Weight | 484.54 g/mol |
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| Exact Mass | 484.23 |
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| IUPAC Name | [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone |
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| SMILES | O=C(c1nc2nc(-c3cn[nH]c3)c(F)c(N3CCOCC3)c2[nH]1)N1CCC(N2CCOCC2)CC1 |
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| InChI | InChI=1S/C23H29FN8O3/c24-17-18(15-13-25-26-14-15)27-21-19(20(17)31-7-11-35-12-8-31)28-22(29-21)23(33)32-3-1-16(2-4-32)30-5-9-34-10-6-30/h13-14,16H,1-12H2,(H,25,26)(H,27,28,29) |
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| InChIKey | VZGDEYNFELPSKG-UHFFFAOYSA-N |
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| XLogP | 1.26 |
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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 | 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 | 484.54 |
| LogP ≤ 5 | 1.26 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 134324547) is [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1nc2nc(-c3cn[nH]c3)c(F)c(N3CCOCC3)c2[nH]1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is VZGDEYNFELPSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN8O3/c24-17-18(15-13-25-26-14-15)27-21-19(20(17)31-7-11-35-12-8-31)28-22(29-21)23(33)32-3-1-16(2-4-32)30-5-9-34-10-6-30/h13-14,16H,1-12H2,(H,25,26)(H,27,28,29).
What are the key properties of [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 484.54 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-7-morpholin-4-yl-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 134324547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).