6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H19N5O4 — CID 136881319

IUPAC6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(OCC(=O)N2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C20H19N5O4/c1-28-13-2-4-14(5-3-13)29-12-18(26)25-9-6-16-15(11-25)20(27)24-19(23-16)17-10-21-7-8-22-17/h2-5,7-8,10H,6,9,11-12H2,1H3,(H,23,24,27)
InChIKeyTWFXVPKZLUBEBM-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.20
Rot. Bonds5

About 6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136881319) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136881319
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(OCC(=O)N2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C20H19N5O4/c1-28-13-2-4-14(5-3-13)29-12-18(26)25-9-6-16-15(11-25)20(27)24-19(23-16)17-10-21-7-8-22-17/h2-5,7-8,10H,6,9,11-12H2,1H3,(H,23,24,27)
InChIKeyTWFXVPKZLUBEBM-UHFFFAOYSA-N
XLogP1.20
TPSA110.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136881319) is 6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc(OCC(=O)N2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is TWFXVPKZLUBEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-28-13-2-4-14(5-3-13)29-12-18(26)25-9-6-16-15(11-25)20(27)24-19(23-16)17-10-21-7-8-22-17/h2-5,7-8,10H,6,9,11-12H2,1H3,(H,23,24,27).
What are the key properties of 6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 393.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136881319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).