1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

C17H13F2N3OS — CID 153200393

IUPAC1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cncs3)ncc2cn1)C1CC(F)(F)C1
InChIInChI=1S/C17H13F2N3OS/c18-17(19)4-11(5-17)15(23)3-13-1-10-2-14(16-8-20-9-24-16)22-7-12(10)6-21-13/h1-2,6-9,11H,3-5H2
InChIKeyWJUJOQCFEADFAV-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.91
Rot. Bonds4

About 1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 153200393) has the molecular formula C17H13F2N3OS and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID153200393
Molecular FormulaC17H13F2N3OS
Molecular Weight345.37 g/mol
Exact Mass345.07
IUPAC Name1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cncs3)ncc2cn1)C1CC(F)(F)C1
InChIInChI=1S/C17H13F2N3OS/c18-17(19)4-11(5-17)15(23)3-13-1-10-2-14(16-8-20-9-24-16)22-7-12(10)6-21-13/h1-2,6-9,11H,3-5H2
InChIKeyWJUJOQCFEADFAV-UHFFFAOYSA-N
XLogP3.91
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one
CID 158842196
1-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 149486179
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160895108
1-[4-(dimethylamino)cyclohexyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 158831170
2-[2-(1,3-thiazol-5-yl)-1,6-naphthyridin-7-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone
CID 159784570
1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 159972288
1-[(2R)-oxolan-2-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 161456067
1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone
CID 159161643
1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159856629
1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158116535
2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone
CID 131162528

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (CID 153200393) is 1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is O=C(Cc1cc2cc(-c3cncs3)ncc2cn1)C1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is WJUJOQCFEADFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS/c18-17(19)4-11(5-17)15(23)3-13-1-10-2-14(16-8-20-9-24-16)22-7-12(10)6-21-13/h1-2,6-9,11H,3-5H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 345.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 153200393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).