About N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide (PubChem CID 59636583) has the molecular formula C19H18ClFIN3O3S
and a molecular weight of 549.79 g/mol. Its IUPAC name is N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide.
Molecular Properties
| Compound Name | N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide |
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| PubChem CID | 59636583 |
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| Molecular Formula | C19H18ClFIN3O3S |
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| Molecular Weight | 549.79 g/mol |
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| Exact Mass | 548.98 |
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| IUPAC Name | N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide |
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| SMILES | O=S(=O)(Nc1cn2ccnc2c(Cl)c1Cc1ccc(I)cc1F)C1(CCO)CC1 |
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| InChI | InChI=1S/C19H18ClFIN3O3S/c20-17-14(9-12-1-2-13(22)10-15(12)21)16(11-25-7-6-23-18(17)25)24-29(27,28)19(3-4-19)5-8-26/h1-2,6-7,10-11,24,26H,3-5,8-9H2 |
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| InChIKey | VJBNSWHXONZEQQ-UHFFFAOYSA-N |
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| XLogP | 3.98 |
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| TPSA | 83.70 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 549.79 |
| LogP ≤ 5 | 3.98 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
The IUPAC name of N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide (CID 59636583) is N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide.
What is the SMILES notation for N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
The canonical SMILES for N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide is O=S(=O)(Nc1cn2ccnc2c(Cl)c1Cc1ccc(I)cc1F)C1(CCO)CC1.
What is the InChIKey of N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
The InChIKey is VJBNSWHXONZEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFIN3O3S/c20-17-14(9-12-1-2-13(22)10-15(12)21)16(11-25-7-6-23-18(17)25)24-29(27,28)19(3-4-19)5-8-26/h1-2,6-7,10-11,24,26H,3-5,8-9H2.
What are the key properties of N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide has a molecular weight of 549.79 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-chloro-7-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 59636583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).