About 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (PubChem CID 69157409) has the molecular formula C43H30FN5S
and a molecular weight of 667.81 g/mol. Its IUPAC name is 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.
Molecular Properties
| Compound Name | 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole |
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| PubChem CID | 69157409 |
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| Molecular Formula | C43H30FN5S |
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| Molecular Weight | 667.81 g/mol |
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| Exact Mass | 667.22 |
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| IUPAC Name | 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole |
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| SMILES | Fc1ccc(-c2c(-n3cccc3)cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2-c2ccc3ncc(-c4nccs4)n3c2)cc1 |
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| InChI | InChI=1S/C43H30FN5S/c44-36-21-18-31(19-22-36)40-38(47-25-10-11-26-47)30-49(41(40)32-20-23-39-46-28-37(48(39)29-32)42-45-24-27-50-42)43(33-12-4-1-5-13-33,34-14-6-2-7-15-34)35-16-8-3-9-17-35/h1-30H |
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| InChIKey | BKYUVDZVBCVKCV-UHFFFAOYSA-N |
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| XLogP | 10.36 |
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| TPSA | 40.05 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 667.81 |
| LogP ≤ 5 | 10.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (CID 69157409) is 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is Fc1ccc(-c2c(-n3cccc3)cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2-c2ccc3ncc(-c4nccs4)n3c2)cc1.
What is the InChIKey of 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The InChIKey is BKYUVDZVBCVKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30FN5S/c44-36-21-18-31(19-22-36)40-38(47-25-10-11-26-47)30-49(41(40)32-20-23-39-46-28-37(48(39)29-32)42-45-24-27-50-42)43(33-12-4-1-5-13-33,34-14-6-2-7-15-34)35-16-8-3-9-17-35/h1-30H.
What are the key properties of 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole has a molecular weight of 667.81 g/mol, XLogP of 10.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(4-fluorophenyl)-4-pyrrol-1-yl-1-tritylpyrrol-2-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 69157409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).