1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine

C23H29N3O2 — CID 69433666

IUPAC1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine
SMILESC1CN2CCC12.CCCOc1c(OC)cccc1-c1cn2ccc(C)cc2n1
InChIInChI=1S/C18H20N2O2.C5H9N/c1-4-10-22-18-14(6-5-7-16(18)21-3)15-12-20-9-8-13(2)11-17(20)19-15;1-3-6-4-2-5(1)6/h5-9,11-12H,4,10H2,1-3H3;5H,1-4H2
InChIKeyKORLMCKFPXSYTO-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.57
Rot. Bonds5

About 1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine

1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine (PubChem CID 69433666) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine
PubChem CID69433666
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine
SMILESC1CN2CCC12.CCCOc1c(OC)cccc1-c1cn2ccc(C)cc2n1
InChIInChI=1S/C18H20N2O2.C5H9N/c1-4-10-22-18-14(6-5-7-16(18)21-3)15-12-20-9-8-13(2)11-17(20)19-15;1-3-6-4-2-5(1)6/h5-9,11-12H,4,10H2,1-3H3;5H,1-4H2
InChIKeyKORLMCKFPXSYTO-UHFFFAOYSA-N
XLogP4.57
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine (CID 69433666) is 1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine is C1CN2CCC12.CCCOc1c(OC)cccc1-c1cn2ccc(C)cc2n1.
What is the InChIKey of 1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The InChIKey is KORLMCKFPXSYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.C5H9N/c1-4-10-22-18-14(6-5-7-16(18)21-3)15-12-20-9-8-13(2)11-17(20)19-15;1-3-6-4-2-5(1)6/h5-9,11-12H,4,10H2,1-3H3;5H,1-4H2.
What are the key properties of 1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine has a molecular weight of 379.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.0]hexane;2-(3-methoxy-2-propoxyphenyl)-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 69433666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).