About N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide (PubChem CID 25160860) has the molecular formula C18H18ClFIN5O3S
and a molecular weight of 565.80 g/mol. Its IUPAC name is N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide.
Molecular Properties
| Compound Name | N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide |
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| PubChem CID | 25160860 |
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| Molecular Formula | C18H18ClFIN5O3S |
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| Molecular Weight | 565.80 g/mol |
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| Exact Mass | 564.98 |
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| IUPAC Name | N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide |
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| SMILES | Cn1cnc2c(Cl)c(Nc3ccc(I)cc3F)c(NS(=O)(=O)C3(CCO)CC3)nc21 |
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| InChI | InChI=1S/C18H18ClFIN5O3S/c1-26-9-22-15-13(19)14(23-12-3-2-10(21)8-11(12)20)16(24-17(15)26)25-30(28,29)18(4-5-18)6-7-27/h2-3,8-9,23,27H,4-7H2,1H3,(H,24,25) |
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| InChIKey | DIHKQGIQNVNNTD-UHFFFAOYSA-N |
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| XLogP | 3.77 |
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| TPSA | 109.14 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 565.80 |
| LogP ≤ 5 | 3.77 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
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-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
The IUPAC name of N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide (CID 25160860) is N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide.
What is the SMILES notation for N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
The canonical SMILES for N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide is Cn1cnc2c(Cl)c(Nc3ccc(I)cc3F)c(NS(=O)(=O)C3(CCO)CC3)nc21.
What is the InChIKey of N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
The InChIKey is DIHKQGIQNVNNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFIN5O3S/c1-26-9-22-15-13(19)14(23-12-3-2-10(21)8-11(12)20)16(24-17(15)26)25-30(28,29)18(4-5-18)6-7-27/h2-3,8-9,23,27H,4-7H2,1H3,(H,24,25).
What are the key properties of N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?
N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide has a molecular weight of 565.80 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-chloro-6-(2-fluoro-4-iodoanilino)-3-methylimidazo[4,5-b]pyridin-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 25160860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).