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

C21H13F3N6O2 — CID 73438485

IUPAC9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCn1cc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C21H13F3N6O2/c1-29-10-11(8-26-29)15-5-6-16-17(27-15)18-14(9-25-16)19(31)28-20(32)30(18)13-4-2-3-12(7-13)21(22,23)24/h2-10H,1H3,(H,28,31,32)
InChIKeyDCGGJRJHWVMBAB-UHFFFAOYSA-N
MW438.37 g/mol
LogP3.04
Rot. Bonds2

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

9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 73438485) has the molecular formula C21H13F3N6O2 and a molecular weight of 438.37 g/mol. Its IUPAC name is 9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID73438485
Molecular FormulaC21H13F3N6O2
Molecular Weight438.37 g/mol
Exact Mass438.11
IUPAC Name9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCn1cc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C21H13F3N6O2/c1-29-10-11(8-26-29)15-5-6-16-17(27-15)18-14(9-25-16)19(31)28-20(32)30(18)13-4-2-3-12(7-13)21(22,23)24/h2-10H,1H3,(H,28,31,32)
InChIKeyDCGGJRJHWVMBAB-UHFFFAOYSA-N
XLogP3.04
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-(1-methylpyrazol-4-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 9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 73438485) is 9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is Cn1cc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of 9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is DCGGJRJHWVMBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N6O2/c1-29-10-11(8-26-29)15-5-6-16-17(27-15)18-14(9-25-16)19(31)28-20(32)30(18)13-4-2-3-12(7-13)21(22,23)24/h2-10H,1H3,(H,28,31,32).
What are the key properties of 9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 438.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 73438485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).