6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one

C20H14F3N5O3 — CID 58093851

IUPAC6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC(F)(F)F)cc3)n2)n1
InChIInChI=1S/C20H14F3N5O3/c1-30-16-10-24-9-15(27-16)14-8-11-6-7-25-19(29)17(11)18(28-14)26-12-2-4-13(5-3-12)31-20(21,22)23/h2-10H,1H3,(H,25,29)(H,26,28)
InChIKeyQEEVPVSTMBVKIO-UHFFFAOYSA-N
MW429.36 g/mol
LogP4.03
Rot. Bonds5

About 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one

6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58093851) has the molecular formula C20H14F3N5O3 and a molecular weight of 429.36 g/mol. Its IUPAC name is 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58093851
Molecular FormulaC20H14F3N5O3
Molecular Weight429.36 g/mol
Exact Mass429.10
IUPAC Name6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC(F)(F)F)cc3)n2)n1
InChIInChI=1S/C20H14F3N5O3/c1-30-16-10-24-9-15(27-16)14-8-11-6-7-25-19(29)17(11)18(28-14)26-12-2-4-13(5-3-12)31-20(21,22)23/h2-10H,1H3,(H,25,29)(H,26,28)
InChIKeyQEEVPVSTMBVKIO-UHFFFAOYSA-N
XLogP4.03
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one 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

1,5,6,7-Tetrahydro-1-methyl-2-[2-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]-4H-pyrrolo[3,2-c]pyridin-4-one
CID 25210579
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
1-Methyl-5-(2-{[5-(4-Methylpiperazin-1-Yl)-2-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)-1h-Pyrrole-3-Carboxamide
CID 54759168
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
N,N-dimethyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10552132
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028706
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028779
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 9
CID 57340658
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide
CID 10786203

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one (CID 58093851) is 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one is COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC(F)(F)F)cc3)n2)n1.
What is the InChIKey of 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is QEEVPVSTMBVKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O3/c1-30-16-10-24-9-15(27-16)14-8-11-6-7-25-19(29)17(11)18(28-14)26-12-2-4-13(5-3-12)31-20(21,22)23/h2-10H,1H3,(H,25,29)(H,26,28).
What are the key properties of 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 429.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).