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

C15H17N5O3 — CID 136820999

IUPAC7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCC(=O)N1CCc2c(nc(-c3cnccn3)[nH]c2=O)C1
InChIInChI=1S/C15H17N5O3/c1-23-7-3-13(21)20-6-2-10-12(9-20)18-14(19-15(10)22)11-8-16-4-5-17-11/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19,22)
InChIKeyYAINIAQDBBZPQV-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.15
Rot. Bonds4

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

7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136820999) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136820999
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCC(=O)N1CCc2c(nc(-c3cnccn3)[nH]c2=O)C1
InChIInChI=1S/C15H17N5O3/c1-23-7-3-13(21)20-6-2-10-12(9-20)18-14(19-15(10)22)11-8-16-4-5-17-11/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19,22)
InChIKeyYAINIAQDBBZPQV-UHFFFAOYSA-N
XLogP0.15
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136820999) is 7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COCCC(=O)N1CCc2c(nc(-c3cnccn3)[nH]c2=O)C1.
What is the InChIKey of 7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YAINIAQDBBZPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-23-7-3-13(21)20-6-2-10-12(9-20)18-14(19-15(10)22)11-8-16-4-5-17-11/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19,22).
What are the key properties of 7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 315.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136820999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).