pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone

C21H14N4O2 — CID 59374257

IUPACpyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2-c2ccncc2)cc1)c1ccccn1
InChIInChI=1S/C21H14N4O2/c26-20(18-3-1-2-10-23-18)16-4-6-17(7-5-16)27-21-19(24-13-14-25-21)15-8-11-22-12-9-15/h1-14H
InChIKeyZMXIEURKVKVTSL-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.96
Rot. Bonds5

About pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone

pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone (PubChem CID 59374257) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone
PubChem CID59374257
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Namepyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2-c2ccncc2)cc1)c1ccccn1
InChIInChI=1S/C21H14N4O2/c26-20(18-3-1-2-10-23-18)16-4-6-17(7-5-16)27-21-19(24-13-14-25-21)15-8-11-22-12-9-15/h1-14H
InChIKeyZMXIEURKVKVTSL-UHFFFAOYSA-N
XLogP3.96
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
The IUPAC name of pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone (CID 59374257) is pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone.
What is the SMILES notation for pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
The canonical SMILES for pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2-c2ccncc2)cc1)c1ccccn1.
What is the InChIKey of pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
The InChIKey is ZMXIEURKVKVTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c26-20(18-3-1-2-10-23-18)16-4-6-17(7-5-16)27-21-19(24-13-14-25-21)15-8-11-22-12-9-15/h1-14H.
What are the key properties of pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone has a molecular weight of 354.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone is sourced from PubChem (CID 59374257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).