N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one

C92H143Cl6I4N9O17S3Si3 — CID 161003291

IUPACN-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one
SMILESCC(O)c1cc(I)c(O)c(Cl)n1.CCC(=O)COc1c(I)cc(C(C)O)nc1Cl.CCC(=O)COc1c(I)cc(C(C)O[Si](C)(C)C(C)(C)C)nc1Cl.CCC(COc1c(I)cc(C(C)O[Si](C)(C)C(C)(C)C)nc1Cl)=NS(=O)C(C)(C)C.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O)nc2Cl.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O[Si](C)(C)C(C)(C)C)nc2Cl
InChIInChI=1S/C21H36ClIN2O3SSi.C21H37ClN2O3SSi.C17H27ClINO3Si.C15H23ClN2O3S.C11H13ClINO3.C7H7ClINO2/c1-11-15(25-29(26)20(3,4)5)13-27-18-16(23)12-17(24-19(18)22)14(2)28-30(9,10)21(6,7)8;1-11-21(24-28(25)19(3,4)5)13-26-17-15(21)12-16(23-18(17)22)14(2)27-29(9,10)20(6,7)8;1-8-12(21)10-22-15-13(19)9-14(20-16(15)18)11(2)23-24(6,7)17(3,4)5;1-6-15(18-22(20)14(3,4)5)8-21-12-10(15)7-11(9(2)19)17-13(12)16;1-3-7(16)5-17-10-8(13)4-9(6(2)15)14-11(10)12;1-3(11)5-2-4(9)6(12)7(8)10-5/h12,14H,11,13H2,1-10H3;12,14,24H,11,13H2,1-10H3;9,11H,8,10H2,1-7H3;7,9,18-19H,6,8H2,1-5H3;4,6,15H,3,5H2,1-2H3;2-3,11-12H,1H3
InChIKeyTWEBXSGZCBDOOX-UHFFFAOYSA-N
MW2547.99 g/mol
LogP26.45
Rot. Bonds31

About N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one

N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one (PubChem CID 161003291) has the molecular formula C92H143Cl6I4N9O17S3Si3 and a molecular weight of 2547.99 g/mol. Its IUPAC name is N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one.

Molecular Properties

Compound NameN-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one
PubChem CID161003291
Molecular FormulaC92H143Cl6I4N9O17S3Si3
Molecular Weight2547.99 g/mol
Exact Mass2543.34
IUPAC NameN-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one
SMILESCC(O)c1cc(I)c(O)c(Cl)n1.CCC(=O)COc1c(I)cc(C(C)O)nc1Cl.CCC(=O)COc1c(I)cc(C(C)O[Si](C)(C)C(C)(C)C)nc1Cl.CCC(COc1c(I)cc(C(C)O[Si](C)(C)C(C)(C)C)nc1Cl)=NS(=O)C(C)(C)C.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O)nc2Cl.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O[Si](C)(C)C(C)(C)C)nc2Cl
InChIInChI=1S/C21H36ClIN2O3SSi.C21H37ClN2O3SSi.C17H27ClINO3Si.C15H23ClN2O3S.C11H13ClINO3.C7H7ClINO2/c1-11-15(25-29(26)20(3,4)5)13-27-18-16(23)12-17(24-19(18)22)14(2)28-30(9,10)21(6,7)8;1-11-21(24-28(25)19(3,4)5)13-26-17-15(21)12-16(23-18(17)22)14(2)27-29(9,10)20(6,7)8;1-8-12(21)10-22-15-13(19)9-14(20-16(15)18)11(2)23-24(6,7)17(3,4)5;1-6-15(18-22(20)14(3,4)5)8-21-12-10(15)7-11(9(2)19)17-13(12)16;1-3-7(16)5-17-10-8(13)4-9(6(2)15)14-11(10)12;1-3(11)5-2-4(9)6(12)7(8)10-5/h12,14H,11,13H2,1-10H3;12,14,24H,11,13H2,1-10H3;9,11H,8,10H2,1-7H3;7,9,18-19H,6,8H2,1-5H3;4,6,15H,3,5H2,1-2H3;2-3,11-12H,1H3
InChIKeyTWEBXSGZCBDOOX-UHFFFAOYSA-N
XLogP26.45
TPSA353.87 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002547.99
LogP ≤ 526.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one?
The IUPAC name of N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one (CID 161003291) is N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one.
What is the SMILES notation for N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one?
The canonical SMILES for N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one is CC(O)c1cc(I)c(O)c(Cl)n1.CCC(=O)COc1c(I)cc(C(C)O)nc1Cl.CCC(=O)COc1c(I)cc(C(C)O[Si](C)(C)C(C)(C)C)nc1Cl.CCC(COc1c(I)cc(C(C)O[Si](C)(C)C(C)(C)C)nc1Cl)=NS(=O)C(C)(C)C.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O)nc2Cl.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O[Si](C)(C)C(C)(C)C)nc2Cl.
What is the InChIKey of N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one?
The InChIKey is TWEBXSGZCBDOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36ClIN2O3SSi.C21H37ClN2O3SSi.C17H27ClINO3Si.C15H23ClN2O3S.C11H13ClINO3.C7H7ClINO2/c1-11-15(25-29(26)20(3,4)5)13-27-18-16(23)12-17(24-19(18)22)14(2)28-30(9,10)21(6,7)8;1-11-21(24-28(25)19(3,4)5)13-26-17-15(21)12-16(23-18(17)22)14(2)27-29(9,10)20(6,7)8;1-8-12(21)10-22-15-13(19)9-14(20-16(15)18)11(2)23-24(6,7)17(3,4)5;1-6-15(18-22(20)14(3,4)5)8-21-12-10(15)7-11(9(2)19)17-13(12)16;1-3-7(16)5-17-10-8(13)4-9(6(2)15)14-11(10)12;1-3(11)5-2-4(9)6(12)7(8)10-5/h12,14H,11,13H2,1-10H3;12,14,24H,11,13H2,1-10H3;9,11H,8,10H2,1-7H3;7,9,18-19H,6,8H2,1-5H3;4,6,15H,3,5H2,1-2H3;2-3,11-12H,1H3.
What are the key properties of N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one?
N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one has a molecular weight of 2547.99 g/mol, XLogP of 26.45, 31 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chloro-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one is sourced from PubChem (CID 161003291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).