2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C19H18N6O2 — CID 136874997

IUPAC2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1cnc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)Cc2ccccn2)C3)cn1
InChIInChI=1S/C19H18N6O2/c1-12-9-22-15(10-21-12)18-23-16-11-25(7-5-14(16)19(27)24-18)17(26)8-13-4-2-3-6-20-13/h2-4,6,9-10H,5,7-8,11H2,1H3,(H,23,24,27)
InChIKeyJQQAWERITGMSFB-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.06
Rot. Bonds3

About 2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136874997) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136874997
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1cnc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)Cc2ccccn2)C3)cn1
InChIInChI=1S/C19H18N6O2/c1-12-9-22-15(10-21-12)18-23-16-11-25(7-5-14(16)19(27)24-18)17(26)8-13-4-2-3-6-20-13/h2-4,6,9-10H,5,7-8,11H2,1H3,(H,23,24,27)
InChIKeyJQQAWERITGMSFB-UHFFFAOYSA-N
XLogP1.06
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-cyclopentylacetyl)-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136874996
6-[2-(2-fluorophenyl)acetyl]-2-(5-methylpyrazin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136875003
4-[5-(2-pyridin-2-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91778749
7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136763495
7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136820999
7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532701
7-[(2-hydroxy-3-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864691
7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681056
7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864071
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
6-(3-phenylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136678859
7-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136820952

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136874997) is 2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1cnc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)Cc2ccccn2)C3)cn1.
What is the InChIKey of 2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JQQAWERITGMSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12-9-22-15(10-21-12)18-23-16-11-25(7-5-14(16)19(27)24-18)17(26)8-13-4-2-3-6-20-13/h2-4,6,9-10H,5,7-8,11H2,1H3,(H,23,24,27).
What are the key properties of 2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 362.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazin-2-yl)-7-(2-pyridin-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136874997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).