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

C22H20FN3O2 — CID 136661139

IUPAC2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1cccc(CC(=O)N2CCc3c(nc(-c4ccc(F)cc4)[nH]c3=O)C2)c1
InChIInChI=1S/C22H20FN3O2/c1-14-3-2-4-15(11-14)12-20(27)26-10-9-18-19(13-26)24-21(25-22(18)28)16-5-7-17(23)8-6-16/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,28)
InChIKeyDUEMDEGOENEGAR-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.01
Rot. Bonds3

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

2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136661139) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136661139
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1cccc(CC(=O)N2CCc3c(nc(-c4ccc(F)cc4)[nH]c3=O)C2)c1
InChIInChI=1S/C22H20FN3O2/c1-14-3-2-4-15(11-14)12-20(27)26-10-9-18-19(13-26)24-21(25-22(18)28)16-5-7-17(23)8-6-16/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,28)
InChIKeyDUEMDEGOENEGAR-UHFFFAOYSA-N
XLogP3.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-N-(1-benzyl-3,3,3-trifluoro-2-oxo-propyl)-acetamide
CID 10479280
4-[[2-[5-amino-2-(3-methylphenyl)-6-oxopyrimidin-1-yl]acetyl]amino]-N-(2-amino-2-oxoethyl)-2,2-difluoro-3-oxo-5-phenylpentanamide
CID 10506615
4-[[2-[5-amino-2-(3-methylphenyl)-6-oxopyrimidin-1-yl]acetyl]amino]-N-[2-(ethylamino)-2-oxoethyl]-2,2-difluoro-3-oxo-5-phenylpentanamide
CID 10793116
4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-acetylamino]-2,2-difluoro-3-oxo-5-phenyl-pentanoic acid amide
CID 11799023
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
4-[[2-[5-amino-2-(3-methylphenyl)-6-oxopyrimidin-1-yl]acetyl]amino]-2,2-difluoro-N-methyl-3-oxo-5-phenylpentanamide
CID 10505462
4-[[2-[5-amino-2-(3-methylphenyl)-6-oxopyrimidin-1-yl]acetyl]amino]-2,2-difluoro-N,N-dimethyl-3-oxo-5-phenylpentanamide
CID 10505893
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799353
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799373
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-4-methyl-N-(1-methyl-6-oxo-2-phenylpyrimidin-5-yl)pentanamide
CID 44344798
2-(3-(4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-yl)cyclopent-1-enyl)-8-methylquinazolin-4(3H)-one
CID 135423306
2,6-difluoro-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030255

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136661139) is 2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1cccc(CC(=O)N2CCc3c(nc(-c4ccc(F)cc4)[nH]c3=O)C2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is DUEMDEGOENEGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-14-3-2-4-15(11-14)12-20(27)26-10-9-18-19(13-26)24-21(25-22(18)28)16-5-7-17(23)8-6-16/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,28).
What are the key properties of 2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 377.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-[2-(3-methylphenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136661139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).