9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C23H14F3N5O4 — CID 118234723

IUPAC9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCOc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(OC(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C23H14F3N5O4/c1-34-18-8-5-12(10-28-18)16-6-7-17-19(29-16)20-15(11-27-17)21(32)30-22(33)31(20)13-3-2-4-14(9-13)35-23(24,25)26/h2-11H,1H3,(H,30,32,33)
InChIKeyUIOFYTPEZLTKIN-UHFFFAOYSA-N
MW481.39 g/mol
LogP3.59
Rot. Bonds4

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

9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 118234723) has the molecular formula C23H14F3N5O4 and a molecular weight of 481.39 g/mol. Its IUPAC name is 9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID118234723
Molecular FormulaC23H14F3N5O4
Molecular Weight481.39 g/mol
Exact Mass481.10
IUPAC Name9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCOc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(OC(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C23H14F3N5O4/c1-34-18-8-5-12(10-28-18)16-6-7-17-19(29-16)20-15(11-27-17)21(32)30-22(33)31(20)13-3-2-4-14(9-13)35-23(24,25)26/h2-11H,1H3,(H,30,32,33)
InChIKeyUIOFYTPEZLTKIN-UHFFFAOYSA-N
XLogP3.59
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)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

Related Compounds

Bay-885
CID 134128280
4-(3-methoxyanilino)-2-pyridin-4-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494264
US8653087, III-301
CID 68036055
5-[4-(3-Methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one
CID 162664560
US8653087, III-332
CID 68036091
US9580418, Example 4
CID 118646910
5-(3-(2,6-Difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrido[4,3-d]pyrimidin-7-yl)picolinamide
CID 122474128
5-(3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrido[4,3-d]pyrimidin-7-yl)-N-methylpicolinamide
CID 122474382
[2-Amino-4-(trifluoromethoxy)phenyl]-[4-[2-methyl-7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 154701643
7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide
CID 155520357
7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide
CID 155551494
7-methoxy-N-(pyrazin-2-ylmethyl)quinoline-3-carboxamide
CID 155560038

Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 118234723) is 9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is COc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(OC(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of 9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is UIOFYTPEZLTKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N5O4/c1-34-18-8-5-12(10-28-18)16-6-7-17-19(29-16)20-15(11-27-17)21(32)30-22(33)31(20)13-3-2-4-14(9-13)35-23(24,25)26/h2-11H,1H3,(H,30,32,33).
What are the key properties of 9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 481.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 118234723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).