2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone

C21H18N4O4 — CID 159313200

IUPAC2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone
SMILESCOc1cncc(Oc2cc(C(=O)Cc3cccc(OC)n3)c3nccn3c2)c1
InChIInChI=1S/C21H18N4O4/c1-27-15-9-16(12-22-11-15)29-17-10-18(21-23-6-7-25(21)13-17)19(26)8-14-4-3-5-20(24-14)28-2/h3-7,9-13H,8H2,1-2H3
InChIKeyLCURAZUBMBMYKP-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.36
Rot. Bonds7

About 2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone

2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone (PubChem CID 159313200) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone.

Molecular Properties

Compound Name2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone
PubChem CID159313200
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone
SMILESCOc1cncc(Oc2cc(C(=O)Cc3cccc(OC)n3)c3nccn3c2)c1
InChIInChI=1S/C21H18N4O4/c1-27-15-9-16(12-22-11-15)29-17-10-18(21-23-6-7-25(21)13-17)19(26)8-14-4-3-5-20(24-14)28-2/h3-7,9-13H,8H2,1-2H3
InChIKeyLCURAZUBMBMYKP-UHFFFAOYSA-N
XLogP3.36
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone?
The IUPAC name of 2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone (CID 159313200) is 2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone.
What is the SMILES notation for 2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone?
The canonical SMILES for 2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone is COc1cncc(Oc2cc(C(=O)Cc3cccc(OC)n3)c3nccn3c2)c1.
What is the InChIKey of 2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone?
The InChIKey is LCURAZUBMBMYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-27-15-9-16(12-22-11-15)29-17-10-18(21-23-6-7-25(21)13-17)19(26)8-14-4-3-5-20(24-14)28-2/h3-7,9-13H,8H2,1-2H3.
What are the key properties of 2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone?
2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone has a molecular weight of 390.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-pyridinyl)-1-[6-[(5-methoxy-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]ethanone is sourced from PubChem (CID 159313200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).