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

C24H34ClFIN5O3SSi — CID 90863710

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-(2-fluoro-4-iodophenyl)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide
SMILESCN1C=NC2C(Cl)/C(=N\c3ccc(I)cc3F)C(NS(=O)(=O)C3(CCO[Si](C)(C)C(C)(C)C)CC3)=NC21
InChIInChI=1S/C24H34ClFIN5O3SSi/c1-23(2,3)37(5,6)35-12-11-24(9-10-24)36(33,34)31-21-19(29-17-8-7-15(27)13-16(17)26)18(25)20-22(30-21)32(4)14-28-20/h7-8,13-14,18,20,22H,9-12H2,1-6H3,(H,30,31)/b29-19+
InChIKeyQJGZJXUNJXQLQH-VUTHCHCSSA-N
MW682.08 g/mol
LogP5.05
Rot. Bonds7

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

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-(2-fluoro-4-iodophenyl)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide (PubChem CID 90863710) has the molecular formula C24H34ClFIN5O3SSi and a molecular weight of 682.08 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-(2-fluoro-4-iodophenyl)imino-3-methyl-7,7a-dihydro-3aH-imidazo[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)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide
PubChem CID90863710
Molecular FormulaC24H34ClFIN5O3SSi
Molecular Weight682.08 g/mol
Exact Mass681.09
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-(2-fluoro-4-iodophenyl)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide
SMILESCN1C=NC2C(Cl)/C(=N\c3ccc(I)cc3F)C(NS(=O)(=O)C3(CCO[Si](C)(C)C(C)(C)C)CC3)=NC21
InChIInChI=1S/C24H34ClFIN5O3SSi/c1-23(2,3)37(5,6)35-12-11-24(9-10-24)36(33,34)31-21-19(29-17-8-7-15(27)13-16(17)26)18(25)20-22(30-21)32(4)14-28-20/h7-8,13-14,18,20,22H,9-12H2,1-6H3,(H,30,31)/b29-19+
InChIKeyQJGZJXUNJXQLQH-VUTHCHCSSA-N
XLogP5.05
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.08
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-(2-fluoro-4-iodophenyl)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide
CID 58133010
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide
CID 59386361
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
4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]sulfonyl-8-chloro-6-(2-fluoro-4-iodophenyl)-12-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraen-5-one
CID 59519430
3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]sulfonyl-1-(2-fluoro-4-iodophenyl)-5,7-dimethylimidazo[4,5-c]pyridine-2,6-dione
CID 58259974
N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
CID 158711584
tert-butyl N-(2-fluoro-4-iodophenyl)-N-[3-[[1-(2-hydroxyethyl)cyclopropyl]sulfonylamino]-1,5-dimethyl-6-oxo-2-pyridinyl]carbamate
CID 66701633
N-[7-fluoro-6-(2-fluoro-4-iodoanilino)-3-methylbenzimidazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
CID 25160469
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2R)-2-hydroxybutyl]cyclopropane-1-sulfonamide
CID 162165267
N-[7-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methyl-1,2-benzoxazol-5-yl]cyclopropanesulfonamide
CID 59636578
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-methoxyethyl)cyclopropane-1-sulfonamide
CID 136571347
N-[4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-prop-2-enoxyphenyl]-1-prop-2-enylcyclopropane-1-sulfonamide
CID 157133924

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-(2-fluoro-4-iodophenyl)imino-3-methyl-7,7a-dihydro-3aH-imidazo[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)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide (CID 90863710) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-(2-fluoro-4-iodophenyl)imino-3-methyl-7,7a-dihydro-3aH-imidazo[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)imino-3-methyl-7,7a-dihydro-3aH-imidazo[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)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide is CN1C=NC2C(Cl)/C(=N\c3ccc(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)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide?
The InChIKey is QJGZJXUNJXQLQH-VUTHCHCSSA-N. The full InChI is InChI=1S/C24H34ClFIN5O3SSi/c1-23(2,3)37(5,6)35-12-11-24(9-10-24)36(33,34)31-21-19(29-17-8-7-15(27)13-16(17)26)18(25)20-22(30-21)32(4)14-28-20/h7-8,13-14,18,20,22H,9-12H2,1-6H3,(H,30,31)/b29-19+.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-(2-fluoro-4-iodophenyl)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-(2-fluoro-4-iodophenyl)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide has a molecular weight of 682.08 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 90863710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).