1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide

C25H33ClFIN4O3SSi — CID 59636580

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide
SMILESCn1cnc2c(Cl)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3(CCO[Si](C)(C)C(C)(C)C)CC3)nc21
InChIInChI=1S/C25H33ClFIN4O3SSi/c1-24(2,3)37(5,6)35-12-11-25(9-10-25)36(33,34)31-22-18(13-16-7-8-17(28)14-19(16)27)20(26)21-23(30-22)32(4)15-29-21/h7-8,14-15H,9-13H2,1-6H3,(H,30,31)
InChIKeyZDFHBOQMWRSPJL-UHFFFAOYSA-N
MW679.07 g/mol
LogP6.64
Rot. Bonds9

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide (PubChem CID 59636580) has the molecular formula C25H33ClFIN4O3SSi and a molecular weight of 679.07 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide
PubChem CID59636580
Molecular FormulaC25H33ClFIN4O3SSi
Molecular Weight679.07 g/mol
Exact Mass678.08
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide
SMILESCn1cnc2c(Cl)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3(CCO[Si](C)(C)C(C)(C)C)CC3)nc21
InChIInChI=1S/C25H33ClFIN4O3SSi/c1-24(2,3)37(5,6)35-12-11-25(9-10-25)36(33,34)31-22-18(13-16-7-8-17(28)14-19(16)27)20(26)21-23(30-22)32(4)15-29-21/h7-8,14-15H,9-13H2,1-6H3,(H,30,31)
InChIKeyZDFHBOQMWRSPJL-UHFFFAOYSA-N
XLogP6.64
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.07
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide (CID 59636580) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide is Cn1cnc2c(Cl)c(Cc3ccc(I)cc3F)c(NS(=O)(=O)C3(CCO[Si](C)(C)C(C)(C)C)CC3)nc21.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide?
The InChIKey is ZDFHBOQMWRSPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClFIN4O3SSi/c1-24(2,3)37(5,6)35-12-11-25(9-10-25)36(33,34)31-22-18(13-16-7-8-17(28)14-19(16)27)20(26)21-23(30-22)32(4)15-29-21/h7-8,14-15H,9-13H2,1-6H3,(H,30,31).
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide has a molecular weight of 679.07 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 59636580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).