methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate

C28H33F2N3O5SSi — CID 68765391

IUPACmethyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-n2cnc3cnc(CO[Si](C)(C)C(C)(C)C)cc32)cc1OC(C)c1ccccc1OC(F)F
InChIInChI=1S/C28H33F2N3O5SSi/c1-17(19-10-8-9-11-22(19)38-27(29)30)37-23-13-24(39-25(23)26(34)35-5)33-16-32-20-14-31-18(12-21(20)33)15-36-40(6,7)28(2,3)4/h8-14,16-17,27H,15H2,1-7H3
InChIKeyGIDDZPRKTXBWQN-UHFFFAOYSA-N
MW589.74 g/mol
LogP7.53
Rot. Bonds10

About methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate

methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate (PubChem CID 68765391) has the molecular formula C28H33F2N3O5SSi and a molecular weight of 589.74 g/mol. Its IUPAC name is methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate
PubChem CID68765391
Molecular FormulaC28H33F2N3O5SSi
Molecular Weight589.74 g/mol
Exact Mass589.19
IUPAC Namemethyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-n2cnc3cnc(CO[Si](C)(C)C(C)(C)C)cc32)cc1OC(C)c1ccccc1OC(F)F
InChIInChI=1S/C28H33F2N3O5SSi/c1-17(19-10-8-9-11-22(19)38-27(29)30)37-23-13-24(39-25(23)26(34)35-5)33-16-32-20-14-31-18(12-21(20)33)15-36-40(6,7)28(2,3)4/h8-14,16-17,27H,15H2,1-7H3
InChIKeyGIDDZPRKTXBWQN-UHFFFAOYSA-N
XLogP7.53
TPSA84.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate (CID 68765391) is methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate is COC(=O)c1sc(-n2cnc3cnc(CO[Si](C)(C)C(C)(C)C)cc32)cc1OC(C)c1ccccc1OC(F)F.
What is the InChIKey of methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate?
The InChIKey is GIDDZPRKTXBWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N3O5SSi/c1-17(19-10-8-9-11-22(19)38-27(29)30)37-23-13-24(39-25(23)26(34)35-5)33-16-32-20-14-31-18(12-21(20)33)15-36-40(6,7)28(2,3)4/h8-14,16-17,27H,15H2,1-7H3.
What are the key properties of methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate?
methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate has a molecular weight of 589.74 g/mol, XLogP of 7.53, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(difluoromethoxy)phenyl]ethoxy]thiophene-2-carboxylate is sourced from PubChem (CID 68765391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).