2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone

C22H24N4O2S — CID 158378498

IUPAC2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone
SMILESCc1ncc(-c2cnc3cnc(CC(=O)C4CCN(C5COC5)CC4)cc3c2)s1
InChIInChI=1S/C22H24N4O2S/c1-14-23-11-22(29-14)17-6-16-7-18(24-10-20(16)25-9-17)8-21(27)15-2-4-26(5-3-15)19-12-28-13-19/h6-7,9-11,15,19H,2-5,8,12-13H2,1H3
InChIKeyGVMOZJJHZHCURU-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.28
Rot. Bonds5

About 2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone

2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone (PubChem CID 158378498) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone
PubChem CID158378498
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone
SMILESCc1ncc(-c2cnc3cnc(CC(=O)C4CCN(C5COC5)CC4)cc3c2)s1
InChIInChI=1S/C22H24N4O2S/c1-14-23-11-22(29-14)17-6-16-7-18(24-10-20(16)25-9-17)8-21(27)15-2-4-26(5-3-15)19-12-28-13-19/h6-7,9-11,15,19H,2-5,8,12-13H2,1H3
InChIKeyGVMOZJJHZHCURU-UHFFFAOYSA-N
XLogP3.28
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 146828434
N-[2-(2-methyl-1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-(oxetan-3-yl)piperidine-4-carboxamide;molecular hydrogen
CID 142584148
1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158656022
1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 153187206
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
CID 147459817
1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 153101172
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanone
CID 148586552
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158814116
1-[6-(2-methyl-1,3-thiazol-5-yl)cinnolin-3-yl]-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-2-one
CID 160735677
1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one
CID 158944256
2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone
CID 148711519
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138587970

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone?
The IUPAC name of 2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone (CID 158378498) is 2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone is Cc1ncc(-c2cnc3cnc(CC(=O)C4CCN(C5COC5)CC4)cc3c2)s1.
What is the InChIKey of 2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone?
The InChIKey is GVMOZJJHZHCURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-14-23-11-22(29-14)17-6-16-7-18(24-10-20(16)25-9-17)8-21(27)15-2-4-26(5-3-15)19-12-28-13-19/h6-7,9-11,15,19H,2-5,8,12-13H2,1H3.
What are the key properties of 2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone?
2-[3-(2-methyl-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone has a molecular weight of 408.53 g/mol, XLogP of 3.28, 5 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-thiazol-5-yl)-1,7-naphthyridin-6-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 158378498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).