9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C23H15F3N6O3 — CID 73438209

IUPAC9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESNc1ccc(-c2ccc3ncc4c(=O)n(CO)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C23H15F3N6O3/c24-23(25,26)13-2-1-3-14(8-13)32-20-15(21(34)31(11-33)22(32)35)10-28-17-6-5-16(30-19(17)20)12-4-7-18(27)29-9-12/h1-10,33H,11H2,(H2,27,29)
InChIKeyGRVQLRNYGBLEON-UHFFFAOYSA-N
MW480.41 g/mol
LogP2.71
Rot. Bonds3

About 9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 73438209) has the molecular formula C23H15F3N6O3 and a molecular weight of 480.41 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID73438209
Molecular FormulaC23H15F3N6O3
Molecular Weight480.41 g/mol
Exact Mass480.12
IUPAC Name9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESNc1ccc(-c2ccc3ncc4c(=O)n(CO)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C23H15F3N6O3/c24-23(25,26)13-2-1-3-14(8-13)32-20-15(21(34)31(11-33)22(32)35)10-28-17-6-5-16(30-19(17)20)12-4-7-18(27)29-9-12/h1-10,33H,11H2,(H2,27,29)
InChIKeyGRVQLRNYGBLEON-UHFFFAOYSA-N
XLogP2.71
TPSA128.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
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-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 73438209) is 9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is Nc1ccc(-c2ccc3ncc4c(=O)n(CO)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of 9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is GRVQLRNYGBLEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6O3/c24-23(25,26)13-2-1-3-14(8-13)32-20-15(21(34)31(11-33)22(32)35)10-28-17-6-5-16(30-19(17)20)12-4-7-18(27)29-9-12/h1-10,33H,11H2,(H2,27,29).
What are the key properties of 9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-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 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-amino-3-pyridinyl)-3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 73438209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).