3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine

C19H16N4O2 — CID 46913421

IUPAC3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1OC
InChIInChI=1S/C19H16N4O2/c1-24-17-9-15(10-22-19(17)25-2)16-11-21-18-4-3-14(12-23(16)18)13-5-7-20-8-6-13/h3-12H,1-2H3
InChIKeyDCTJLAXVKKXFLM-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.48
Rot. Bonds4

About 3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine

3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine (PubChem CID 46913421) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine
PubChem CID46913421
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1OC
InChIInChI=1S/C19H16N4O2/c1-24-17-9-15(10-22-19(17)25-2)16-11-21-18-4-3-14(12-23(16)18)13-5-7-20-8-6-13/h3-12H,1-2H3
InChIKeyDCTJLAXVKKXFLM-UHFFFAOYSA-N
XLogP3.48
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine (CID 46913421) is 3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine is COc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1OC.
What is the InChIKey of 3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The InChIKey is DCTJLAXVKKXFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-17-9-15(10-22-19(17)25-2)16-11-21-18-4-3-14(12-23(16)18)13-5-7-20-8-6-13/h3-12H,1-2H3.
What are the key properties of 3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine?
3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine has a molecular weight of 332.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 46913421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).