6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine

C21H21N3O4 — CID 23026021

IUPAC6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(CCc2nc3ncc(-c4ccco4)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H21N3O4/c1-25-17-9-13(10-18(26-2)20(17)27-3)6-7-19-23-15-11-14(12-22-21(15)24-19)16-5-4-8-28-16/h4-5,8-12H,6-7H2,1-3H3,(H,22,23,24)
InChIKeyOSMZWPVRSJNCHQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.03
Rot. Bonds7

About 6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine

6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 23026021) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID23026021
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(CCc2nc3ncc(-c4ccco4)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H21N3O4/c1-25-17-9-13(10-18(26-2)20(17)27-3)6-7-19-23-15-11-14(12-22-21(15)24-19)16-5-4-8-28-16/h4-5,8-12H,6-7H2,1-3H3,(H,22,23,24)
InChIKeyOSMZWPVRSJNCHQ-UHFFFAOYSA-N
XLogP4.03
TPSA82.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 23026021) is 6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine is COc1cc(CCc2nc3ncc(-c4ccco4)cc3[nH]2)cc(OC)c1OC.
What is the InChIKey of 6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is OSMZWPVRSJNCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-25-17-9-13(10-18(26-2)20(17)27-3)6-7-19-23-15-11-14(12-22-21(15)24-19)16-5-4-8-28-16/h4-5,8-12H,6-7H2,1-3H3,(H,22,23,24).
What are the key properties of 6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 379.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23026021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).