2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone

C26H26N4O3 — CID 157130242

IUPAC2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone
SMILESCc1ncc(-c2cnc3cnc(CC(=O)c4cccc(OC5CCN(C)CC5)c4)cc3c2)o1
InChIInChI=1S/C26H26N4O3/c1-17-27-16-26(32-17)20-10-19-11-21(28-15-24(19)29-14-20)13-25(31)18-4-3-5-23(12-18)33-22-6-8-30(2)9-7-22/h3-5,10-12,14-16,22H,6-9,13H2,1-2H3
InChIKeyAIZGPPXZNOMICV-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.49
Rot. Bonds6

About 2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone

2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone (PubChem CID 157130242) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone
PubChem CID157130242
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone
SMILESCc1ncc(-c2cnc3cnc(CC(=O)c4cccc(OC5CCN(C)CC5)c4)cc3c2)o1
InChIInChI=1S/C26H26N4O3/c1-17-27-16-26(32-17)20-10-19-11-21(28-15-24(19)29-14-20)13-25(31)18-4-3-5-23(12-18)33-22-6-8-30(2)9-7-22/h3-5,10-12,14-16,22H,6-9,13H2,1-2H3
InChIKeyAIZGPPXZNOMICV-UHFFFAOYSA-N
XLogP4.49
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158347422
1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158047318
3-(1-methylpiperidin-4-yl)oxy-N-[3-(1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]benzamide
CID 138589233
1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 153101172
1-(3-cyclopropyloxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114521120
1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one
CID 148679772
1-[(1R,5S)-3-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 159600305
2-[3-(5-methoxy-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159031337
N-[6-(4,5-dimethyl-1,3-thiazol-2-yl)isoquinolin-3-yl]-3-(1-methylpiperidin-4-yl)oxybenzamide
CID 166786927
1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 148719871
1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one
CID 149083889
3-(1-methylpiperidin-4-yl)oxy-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]benzamide
CID 138588083

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone?
The IUPAC name of 2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone (CID 157130242) is 2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone.
What is the SMILES notation for 2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone?
The canonical SMILES for 2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone is Cc1ncc(-c2cnc3cnc(CC(=O)c4cccc(OC5CCN(C)CC5)c4)cc3c2)o1.
What is the InChIKey of 2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone?
The InChIKey is AIZGPPXZNOMICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-17-27-16-26(32-17)20-10-19-11-21(28-15-24(19)29-14-20)13-25(31)18-4-3-5-23(12-18)33-22-6-8-30(2)9-7-22/h3-5,10-12,14-16,22H,6-9,13H2,1-2H3.
What are the key properties of 2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone?
2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone has a molecular weight of 442.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone is sourced from PubChem (CID 157130242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).