2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H15F2N3O2 — CID 135479168

IUPAC2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCC(=O)N1CCc2nc(-c3ccc(F)c(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C16H15F2N3O2/c1-2-14(22)21-6-5-13-10(8-21)16(23)20-15(19-13)9-3-4-11(17)12(18)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,19,20,23)
InChIKeyBOEUXKFMYYXFIO-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.01
Rot. Bonds2

About 2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135479168) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135479168
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCC(=O)N1CCc2nc(-c3ccc(F)c(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C16H15F2N3O2/c1-2-14(22)21-6-5-13-10(8-21)16(23)20-15(19-13)9-3-4-11(17)12(18)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,19,20,23)
InChIKeyBOEUXKFMYYXFIO-UHFFFAOYSA-N
XLogP2.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-acetyl-2-(4-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135542344
6-(4-chlorobenzoyl)-2-(4-ethylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622536
2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622532
6-acetyl-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135478590
6-(2-ethylhexanoyl)-2-(4-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135534820
2-(4-fluorophenyl)-6-(naphthalene-1-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135956323
2-(4-methylphenyl)-6-(2-phenylmethoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135538481
6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135772033
6-[2-(2-fluorophenyl)acetyl]-2-(5-methylpyrazin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136875003
6-(3-chlorobenzoyl)-2-(3-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622545
6-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136627835
6-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945906

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135479168) is 2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCC(=O)N1CCc2nc(-c3ccc(F)c(F)c3)[nH]c(=O)c2C1.
What is the InChIKey of 2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BOEUXKFMYYXFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-2-14(22)21-6-5-13-10(8-21)16(23)20-15(19-13)9-3-4-11(17)12(18)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,19,20,23).
What are the key properties of 2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 319.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135479168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).