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

C19H23N5O2 — CID 136881315

IUPAC6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(CCC1CCCC1)N1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1
InChIInChI=1S/C19H23N5O2/c25-17(6-5-13-3-1-2-4-13)24-10-7-15-14(12-24)19(26)23-18(22-15)16-11-20-8-9-21-16/h8-9,11,13H,1-7,10,12H2,(H,22,23,26)
InChIKeyONWVWWPJCDUMFS-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.08
Rot. Bonds4

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

6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136881315) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136881315
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(CCC1CCCC1)N1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1
InChIInChI=1S/C19H23N5O2/c25-17(6-5-13-3-1-2-4-13)24-10-7-15-14(12-24)19(26)23-18(22-15)16-11-20-8-9-21-16/h8-9,11,13H,1-7,10,12H2,(H,22,23,26)
InChIKeyONWVWWPJCDUMFS-UHFFFAOYSA-N
XLogP2.08
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-phenylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136678859
6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136820996
6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136881319
6-[4-(2,4-dimethylphenoxy)butanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136881343
7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136820999
7-[(2S)-oxolane-2-carbonyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136678905
7-(2-cyclopentylacetyl)-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136874996
2-[1-(3-cyclopentylpropanoyl)pyrrolidin-3-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136797218
7-[[(2R)-oxolan-2-yl]methyl]-2-pyrazin-2-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136682401
2-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774717
6-[(2R)-2-(3-methoxyphenoxy)butanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136820861
6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136881348

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136881315) is 6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(CCC1CCCC1)N1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ONWVWWPJCDUMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-17(6-5-13-3-1-2-4-13)24-10-7-15-14(12-24)19(26)23-18(22-15)16-11-20-8-9-21-16/h8-9,11,13H,1-7,10,12H2,(H,22,23,26).
What are the key properties of 6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 353.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136881315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).