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

C20H15FN4O3 — CID 147050614

IUPAC1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1
InChIInChI=1S/C20H15FN4O3/c1-27-19-4-2-3-14(24-19)8-18(26)17-9-16(12-25-6-5-23-20(17)25)28-15-7-13(21)10-22-11-15/h2-7,9-12H,8H2,1H3
InChIKeyBBFPHBYKSQBLRX-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.49
Rot. Bonds6

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

1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone (PubChem CID 147050614) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone
PubChem CID147050614
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC Name1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1
InChIInChI=1S/C20H15FN4O3/c1-27-19-4-2-3-14(24-19)8-18(26)17-9-16(12-25-6-5-23-20(17)25)28-15-7-13(21)10-22-11-15/h2-7,9-12H,8H2,1H3
InChIKeyBBFPHBYKSQBLRX-UHFFFAOYSA-N
XLogP3.49
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone (CID 147050614) is 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone is COc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1.
What is the InChIKey of 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone?
The InChIKey is BBFPHBYKSQBLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c1-27-19-4-2-3-14(24-19)8-18(26)17-9-16(12-25-6-5-23-20(17)25)28-15-7-13(21)10-22-11-15/h2-7,9-12H,8H2,1H3.
What are the key properties of 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone?
1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone has a molecular weight of 378.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 147050614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).