6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine

C18H21BrN2O2 — CID 155444041

IUPAC6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine
SMILESCC(Oc1cc2nc(C34COC(C)(C3)C4)cn2cc1Br)C1CC1
InChIInChI=1S/C18H21BrN2O2/c1-11(12-3-4-12)23-14-5-16-20-15(7-21(16)6-13(14)19)18-8-17(2,9-18)22-10-18/h5-7,11-12H,3-4,8-10H2,1-2H3
InChIKeyHBCHIOWKGRBYBG-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.09
Rot. Bonds4

About 6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine

6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine (PubChem CID 155444041) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine
PubChem CID155444041
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine
SMILESCC(Oc1cc2nc(C34COC(C)(C3)C4)cn2cc1Br)C1CC1
InChIInChI=1S/C18H21BrN2O2/c1-11(12-3-4-12)23-14-5-16-20-15(7-21(16)6-13(14)19)18-8-17(2,9-18)22-10-18/h5-7,11-12H,3-4,8-10H2,1-2H3
InChIKeyHBCHIOWKGRBYBG-UHFFFAOYSA-N
XLogP4.09
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine (CID 155444041) is 6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine is CC(Oc1cc2nc(C34COC(C)(C3)C4)cn2cc1Br)C1CC1.
What is the InChIKey of 6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is HBCHIOWKGRBYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-11(12-3-4-12)23-14-5-16-20-15(7-21(16)6-13(14)19)18-8-17(2,9-18)22-10-18/h5-7,11-12H,3-4,8-10H2,1-2H3.
What are the key properties of 6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine?
6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 377.28 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(1-cyclopropylethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 155444041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).