7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C24H24F3N3O2 — CID 135863899

IUPAC7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cc(C)c(CN2CCc3c(nc(-c4ccc(C(F)(F)F)cc4)[nH]c3=O)C2)cc1C
InChIInChI=1S/C24H24F3N3O2/c1-14-11-21(32-3)15(2)10-17(14)12-30-9-8-19-20(13-30)28-22(29-23(19)31)16-4-6-18(7-5-16)24(25,26)27/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,28,29,31)
InChIKeyAIOJLSJKLGFKGT-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.64
Rot. Bonds4

About 7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135863899) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135863899
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cc(C)c(CN2CCc3c(nc(-c4ccc(C(F)(F)F)cc4)[nH]c3=O)C2)cc1C
InChIInChI=1S/C24H24F3N3O2/c1-14-11-21(32-3)15(2)10-17(14)12-30-9-8-19-20(13-30)28-22(29-23(19)31)16-4-6-18(7-5-16)24(25,26)27/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,28,29,31)
InChIKeyAIOJLSJKLGFKGT-UHFFFAOYSA-N
XLogP4.64
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-3,6-dimethyl-3H-pyrimidin-4-one
CID 9950645
5-Dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 135553002
5-Dipropylamino-3-(2-fluoro-ethyl)-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 44318168
5-Dipropylamino-6-ethyl-2-(2-methoxy-4,6-dimethyl-phenyl)-3H-pyrimidin-4-one
CID 136029158
5-Dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3-(2,2,2-trifluoro-ethyl)-3H-pyrimidin-4-one
CID 44462061
3-Benzyl-5-(dipropylamino)-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidin-4-one
CID 44462122
2-(4-fluorophenyl)-7-[3-(3-methoxyphenyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136112244
7-(3-Fluoro-4-methylbenzoyl)-2-(4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136251462
2-(4-Methoxyphenyl)-7-[2-(trifluoromethoxy)benzoyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136339001
"N-(3-fluorobenzyl)-2-(4-methoxyphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-carboxamide"
CID 136339009
2-(4-Methoxyphenyl)-7-propanoyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112269
7-acetyl-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136112273

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135863899) is 7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1cc(C)c(CN2CCc3c(nc(-c4ccc(C(F)(F)F)cc4)[nH]c3=O)C2)cc1C.
What is the InChIKey of 7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is AIOJLSJKLGFKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-14-11-21(32-3)15(2)10-17(14)12-30-9-8-19-20(13-30)28-22(29-23(19)31)16-4-6-18(7-5-16)24(25,26)27/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,28,29,31).
What are the key properties of 7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 443.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135863899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).