pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone

C20H13N5O2 — CID 59374342

IUPACpyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2-c2cncnc2)cc1)c1ccccn1
InChIInChI=1S/C20H13N5O2/c26-19(17-3-1-2-8-23-17)14-4-6-16(7-5-14)27-20-18(24-9-10-25-20)15-11-21-13-22-12-15/h1-13H
InChIKeyULWUNIJJUSLRPS-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.35
Rot. Bonds5

About pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone

pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone (PubChem CID 59374342) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone
PubChem CID59374342
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Namepyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2-c2cncnc2)cc1)c1ccccn1
InChIInChI=1S/C20H13N5O2/c26-19(17-3-1-2-8-23-17)14-4-6-16(7-5-14)27-20-18(24-9-10-25-20)15-11-21-13-22-12-15/h1-13H
InChIKeyULWUNIJJUSLRPS-UHFFFAOYSA-N
XLogP3.35
TPSA90.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone?
The IUPAC name of pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone (CID 59374342) is pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone.
What is the SMILES notation for pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone?
The canonical SMILES for pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2-c2cncnc2)cc1)c1ccccn1.
What is the InChIKey of pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone?
The InChIKey is ULWUNIJJUSLRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c26-19(17-3-1-2-8-23-17)14-4-6-16(7-5-14)27-20-18(24-9-10-25-20)15-11-21-13-22-12-15/h1-13H.
What are the key properties of pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone?
pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone has a molecular weight of 355.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]methanone is sourced from PubChem (CID 59374342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).