1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine

C20H21N3O2 — CID 11267663

IUPAC1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCOc1c(C(C)n2cnc3ncccc32)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C20H21N3O2/c1-13(23-12-22-19-16(23)6-5-11-21-19)14-7-8-17-15(18(14)24-4)9-10-20(2,3)25-17/h5-13H,1-4H3
InChIKeyMCVWPJZBARCDLJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.23
Rot. Bonds3

About 1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine

1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 11267663) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID11267663
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCOc1c(C(C)n2cnc3ncccc32)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C20H21N3O2/c1-13(23-12-22-19-16(23)6-5-11-21-19)14-7-8-17-15(18(14)24-4)9-10-20(2,3)25-17/h5-13H,1-4H3
InChIKeyMCVWPJZBARCDLJ-UHFFFAOYSA-N
XLogP4.23
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine (CID 11267663) is 1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine is COc1c(C(C)n2cnc3ncccc32)ccc2c1C=CC(C)(C)O2.
What is the InChIKey of 1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is MCVWPJZBARCDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(23-12-22-19-16(23)6-5-11-21-19)14-7-8-17-15(18(14)24-4)9-10-20(2,3)25-17/h5-13H,1-4H3.
What are the key properties of 1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine?
1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 335.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 11267663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).