About [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone (PubChem CID 134324445) has the molecular formula C24H31FN8O3
and a molecular weight of 498.56 g/mol. Its IUPAC name is [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone.
Molecular Properties
| Compound Name | [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone |
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| PubChem CID | 134324445 |
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| Molecular Formula | C24H31FN8O3 |
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| Molecular Weight | 498.56 g/mol |
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| Exact Mass | 498.25 |
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| IUPAC Name | [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone |
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| SMILES | Cn1cc(-c2nc3nc(C(=O)N4CCN(C5CCOCC5)CC4)[nH]c3c(N3CCOCC3)c2F)cn1 |
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| InChI | InChI=1S/C24H31FN8O3/c1-30-15-16(14-26-30)19-18(25)21(32-8-12-36-13-9-32)20-22(27-19)29-23(28-20)24(34)33-6-4-31(5-7-33)17-2-10-35-11-3-17/h14-15,17H,2-13H2,1H3,(H,27,28,29) |
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| InChIKey | FONUTNZEWJSQIA-UHFFFAOYSA-N |
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| XLogP | 1.27 |
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| TPSA | 104.64 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 36 |
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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 | 498.56 |
| LogP ≤ 5 | 1.27 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone (CID 134324445) is [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone is Cn1cc(-c2nc3nc(C(=O)N4CCN(C5CCOCC5)CC4)[nH]c3c(N3CCOCC3)c2F)cn1.
What is the InChIKey of [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The InChIKey is FONUTNZEWJSQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN8O3/c1-30-15-16(14-26-30)19-18(25)21(32-8-12-36-13-9-32)20-22(27-19)29-23(28-20)24(34)33-6-4-31(5-7-33)17-2-10-35-11-3-17/h14-15,17H,2-13H2,1H3,(H,27,28,29).
What are the key properties of [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
[6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone has a molecular weight of 498.56 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 134324445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).