1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone

C27H28Cl2N2O4Si — CID 139994767

IUPAC1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone
SMILESCOc1ncc(C(=O)Cc2c(Cl)cncc2Cl)c2cc(-c3ccccc3O[Si](C)(C)C(C)(C)C)oc12
InChIInChI=1S/C27H28Cl2N2O4Si/c1-27(2,3)36(5,6)35-23-10-8-7-9-16(23)24-12-17-19(13-31-26(33-4)25(17)34-24)22(32)11-18-20(28)14-30-15-21(18)29/h7-10,12-15H,11H2,1-6H3
InChIKeyUWNGBIFMYJBCSC-UHFFFAOYSA-N
MW543.52 g/mol
LogP8.01
Rot. Bonds7

About 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone

1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone (PubChem CID 139994767) has the molecular formula C27H28Cl2N2O4Si and a molecular weight of 543.52 g/mol. Its IUPAC name is 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone
PubChem CID139994767
Molecular FormulaC27H28Cl2N2O4Si
Molecular Weight543.52 g/mol
Exact Mass542.12
IUPAC Name1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone
SMILESCOc1ncc(C(=O)Cc2c(Cl)cncc2Cl)c2cc(-c3ccccc3O[Si](C)(C)C(C)(C)C)oc12
InChIInChI=1S/C27H28Cl2N2O4Si/c1-27(2,3)36(5,6)35-23-10-8-7-9-16(23)24-12-17-19(13-31-26(33-4)25(17)34-24)22(32)11-18-20(28)14-30-15-21(18)29/h7-10,12-15H,11H2,1-6H3
InChIKeyUWNGBIFMYJBCSC-UHFFFAOYSA-N
XLogP8.01
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.52
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
The IUPAC name of 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone (CID 139994767) is 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
The canonical SMILES for 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone is COc1ncc(C(=O)Cc2c(Cl)cncc2Cl)c2cc(-c3ccccc3O[Si](C)(C)C(C)(C)C)oc12.
What is the InChIKey of 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
The InChIKey is UWNGBIFMYJBCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N2O4Si/c1-27(2,3)36(5,6)35-23-10-8-7-9-16(23)24-12-17-19(13-31-26(33-4)25(17)34-24)22(32)11-18-20(28)14-30-15-21(18)29/h7-10,12-15H,11H2,1-6H3.
What are the key properties of 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone has a molecular weight of 543.52 g/mol, XLogP of 8.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone is sourced from PubChem (CID 139994767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).