7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

C16H14F3N3O4 — CID 167856689

IUPAC7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)N1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C16H14F3N3O4/c17-16(18,19)26-10-3-1-2-9(6-10)7-13(23)22-5-4-11-12(8-22)20-15(25)21-14(11)24/h1-3,6H,4-5,7-8H2,(H2,20,21,24,25)
InChIKeyPBYVZPCIPRESIQ-UHFFFAOYSA-N
MW369.30 g/mol
LogP1.09
Rot. Bonds3

About 7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 167856689) has the molecular formula C16H14F3N3O4 and a molecular weight of 369.30 g/mol. Its IUPAC name is 7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID167856689
Molecular FormulaC16H14F3N3O4
Molecular Weight369.30 g/mol
Exact Mass369.09
IUPAC Name7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)N1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C16H14F3N3O4/c17-16(18,19)26-10-3-1-2-9(6-10)7-13(23)22-5-4-11-12(8-22)20-15(25)21-14(11)24/h1-3,6H,4-5,7-8H2,(H2,20,21,24,25)
InChIKeyPBYVZPCIPRESIQ-UHFFFAOYSA-N
XLogP1.09
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 18456279
2-(3-fluorophenyl)-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 113089888
2-(3-bromophenyl)-1-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 113090112
1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-2-(3-methoxyphenyl)ethanone
CID 112533978
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
5-amino-3-[(3S)-1-[2-[3-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098716
2-(3-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone
CID 112535627
(5R)-5-[3-oxo-4-[3-(trifluoromethoxy)phenyl]but-1-enyl]pyrrolidin-2-one
CID 150619849
6-[2-(3-bromo-5-iodophenyl)acetyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
CID 166377771
7-(3,4-dihydro-1H-isochromene-8-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958907
2-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]-1-piperazin-1-ylethanone
CID 119932464
1-[2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 59670424

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (CID 167856689) is 7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is O=C(Cc1cccc(OC(F)(F)F)c1)N1CCc2c([nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is PBYVZPCIPRESIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O4/c17-16(18,19)26-10-3-1-2-9(6-10)7-13(23)22-5-4-11-12(8-22)20-15(25)21-14(11)24/h1-3,6H,4-5,7-8H2,(H2,20,21,24,25).
What are the key properties of 7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 369.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167856689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).