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

C23H15F3N6O4 — CID 73438320

IUPAC3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCOc1ncc(-c2ccc3ncc4c(=O)n(CO)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C23H15F3N6O4/c1-36-21-28-8-12(9-29-21)16-5-6-17-18(30-16)19-15(10-27-17)20(34)31(11-33)22(35)32(19)14-4-2-3-13(7-14)23(24,25)26/h2-10,33H,11H2,1H3
InChIKeyFJFPCFTXMOJVGE-UHFFFAOYSA-N
MW496.41 g/mol
LogP2.53
Rot. Bonds4

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

3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 73438320) has the molecular formula C23H15F3N6O4 and a molecular weight of 496.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID73438320
Molecular FormulaC23H15F3N6O4
Molecular Weight496.41 g/mol
Exact Mass496.11
IUPAC Name3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCOc1ncc(-c2ccc3ncc4c(=O)n(CO)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C23H15F3N6O4/c1-36-21-28-8-12(9-29-21)16-5-6-17-18(30-16)19-15(10-27-17)20(34)31(11-33)22(35)32(19)14-4-2-3-13(7-14)23(24,25)26/h2-10,33H,11H2,1H3
InChIKeyFJFPCFTXMOJVGE-UHFFFAOYSA-N
XLogP2.53
TPSA125.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 73438320) is 3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is COc1ncc(-c2ccc3ncc4c(=O)n(CO)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of 3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is FJFPCFTXMOJVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6O4/c1-36-21-28-8-12(9-29-21)16-5-6-17-18(30-16)19-15(10-27-17)20(34)31(11-33)22(35)32(19)14-4-2-3-13(7-14)23(24,25)26/h2-10,33H,11H2,1H3.
What are the key properties of 3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 496.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 73438320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).