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

C22H28FN3O2 — CID 137256444

IUPAC2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCCCCCCC(=O)N1CCc2nc(-c3cccc(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C22H28FN3O2/c1-2-3-4-5-6-7-11-20(27)26-13-12-19-18(15-26)22(28)25-21(24-19)16-9-8-10-17(23)14-16/h8-10,14H,2-7,11-13,15H2,1H3,(H,24,25,28)
InChIKeyVAPZPMLUSNVQLZ-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.21
Rot. Bonds8

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

2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 137256444) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID137256444
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCCCCCCC(=O)N1CCc2nc(-c3cccc(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C22H28FN3O2/c1-2-3-4-5-6-7-11-20(27)26-13-12-19-18(15-26)22(28)25-21(24-19)16-9-8-10-17(23)14-16/h8-10,14H,2-7,11-13,15H2,1H3,(H,24,25,28)
InChIKeyVAPZPMLUSNVQLZ-UHFFFAOYSA-N
XLogP4.21
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010494
2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458502
2-Phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135578165
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-4-methyl-N-(1-methyl-6-oxo-2-phenylpyrimidin-5-yl)pentanamide
CID 44344798
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249
2-(4-(Trifluoromethyl)phenyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135741330
6-methyl-2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135960847
6-Benzyl-2-phenyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135466479
6-benzyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135472211
4-[[(1S)-2-(ethylamino)-1-(3-fluorophenyl)ethyl]amino]-6,7-dihydroquinazoline-8-carboxamide
CID 68078593

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 137256444) is 2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCCCCCCC(=O)N1CCc2nc(-c3cccc(F)c3)[nH]c(=O)c2C1.
What is the InChIKey of 2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VAPZPMLUSNVQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-2-3-4-5-6-7-11-20(27)26-13-12-19-18(15-26)22(28)25-21(24-19)16-9-8-10-17(23)14-16/h8-10,14H,2-7,11-13,15H2,1H3,(H,24,25,28).
What are the key properties of 2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 385.48 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-nonanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137256444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).