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

C18H20FN3O2 — CID 135622532

IUPAC2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCCC(=O)N1CCc2nc(-c3ccccc3F)[nH]c(=O)c2C1
InChIInChI=1S/C18H20FN3O2/c1-2-3-8-16(23)22-10-9-15-13(11-22)18(24)21-17(20-15)12-6-4-5-7-14(12)19/h4-7H,2-3,8-11H2,1H3,(H,20,21,24)
InChIKeyUZPVVIUGFWKFHC-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.65
Rot. Bonds4

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

2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135622532) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135622532
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCCC(=O)N1CCc2nc(-c3ccccc3F)[nH]c(=O)c2C1
InChIInChI=1S/C18H20FN3O2/c1-2-3-8-16(23)22-10-9-15-13(11-22)18(24)21-17(20-15)12-6-4-5-7-14(12)19/h4-7H,2-3,8-11H2,1H3,(H,20,21,24)
InChIKeyUZPVVIUGFWKFHC-UHFFFAOYSA-N
XLogP2.65
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2R)-2-ethylhexanoyl]-2-(2-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619250
6-(cyclopentanecarbonyl)-2-(2-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622522
2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135479168
2-[(3-fluorophenyl)methyl]-6-heptanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135816617
6-[2-(2-fluorophenyl)acetyl]-2-(5-methylpyrazin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136875003
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
6-acetyl-2-(4-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135542344
2-(4-fluorophenyl)-6-(naphthalene-1-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135956323
6-(3-phenylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136678859
6-butanoyl-2-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892271
2-benzyl-6-(3-phenylpropanoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135490052

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135622532) is 2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCCC(=O)N1CCc2nc(-c3ccccc3F)[nH]c(=O)c2C1.
What is the InChIKey of 2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UZPVVIUGFWKFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-2-3-8-16(23)22-10-9-15-13(11-22)18(24)21-17(20-15)12-6-4-5-7-14(12)19/h4-7H,2-3,8-11H2,1H3,(H,20,21,24).
What are the key properties of 2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 329.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135622532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).