9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C23H15F3N6O3 — CID 73438319

IUPAC9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCOc1ncc(-c2ccc3ncc4c(=O)n(C)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C23H15F3N6O3/c1-31-20(33)15-11-27-17-7-6-16(12-9-28-21(35-2)29-10-12)30-18(17)19(15)32(22(31)34)14-5-3-4-13(8-14)23(24,25)26/h3-11H,1-2H3
InChIKeyMVMLEHHSUKMGRJ-UHFFFAOYSA-N
MW480.41 g/mol
LogP3.12
Rot. Bonds3

About 9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 73438319) has the molecular formula C23H15F3N6O3 and a molecular weight of 480.41 g/mol. Its IUPAC name is 9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID73438319
Molecular FormulaC23H15F3N6O3
Molecular Weight480.41 g/mol
Exact Mass480.12
IUPAC Name9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCOc1ncc(-c2ccc3ncc4c(=O)n(C)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C23H15F3N6O3/c1-31-20(33)15-11-27-17-7-6-16(12-9-28-21(35-2)29-10-12)30-18(17)19(15)32(22(31)34)14-5-3-4-13(8-14)23(24,25)26/h3-11H,1-2H3
InChIKeyMVMLEHHSUKMGRJ-UHFFFAOYSA-N
XLogP3.12
TPSA104.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 73438319) is 9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is COc1ncc(-c2ccc3ncc4c(=O)n(C)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of 9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is MVMLEHHSUKMGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6O3/c1-31-20(33)15-11-27-17-7-6-16(12-9-28-21(35-2)29-10-12)30-18(17)19(15)32(22(31)34)14-5-3-4-13(8-14)23(24,25)26/h3-11H,1-2H3.
What are the key properties of 9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 480.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 73438319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).