About [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane
[4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane (PubChem CID 145448859) has the molecular formula C19H15F3N6S
and a molecular weight of 416.43 g/mol. Its IUPAC name is [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane.
Molecular Properties
| Compound Name | [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane |
|---|
| PubChem CID | 145448859 |
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| Molecular Formula | C19H15F3N6S |
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| Molecular Weight | 416.43 g/mol |
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| Exact Mass | 416.10 |
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| IUPAC Name | [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane |
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| SMILES | CC.N#Cc1cnc2ccc(-c3cn(SF)nc3-c3cccc(C(F)F)n3)cn12 |
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| InChI | InChI=1S/C17H9F3N6S.C2H6/c18-17(19)14-3-1-2-13(23-14)16-12(9-26(24-16)27-20)10-4-5-15-22-7-11(6-21)25(15)8-10;1-2/h1-5,7-9,17H;1-2H3 |
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| InChIKey | GGLGPKYMDONEDQ-UHFFFAOYSA-N |
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| XLogP | 5.48 |
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| TPSA | 71.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 416.43 |
| LogP ≤ 5 | 5.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane?
The IUPAC name of [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane (CID 145448859) is [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane.
What is the SMILES notation for [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane?
The canonical SMILES for [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane is CC.N#Cc1cnc2ccc(-c3cn(SF)nc3-c3cccc(C(F)F)n3)cn12.
What is the InChIKey of [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane?
The InChIKey is GGLGPKYMDONEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N6S.C2H6/c18-17(19)14-3-1-2-13(23-14)16-12(9-26(24-16)27-20)10-4-5-15-22-7-11(6-21)25(15)8-10;1-2/h1-5,7-9,17H;1-2H3.
What are the key properties of [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane?
[4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane has a molecular weight of 416.43 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane is sourced from PubChem (CID 145448859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).