2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone

C23H20FN5O2 — CID 152985139

IUPAC2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cncc(F)c3)cnc2cn1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C23H20FN5O2/c24-18-6-17(9-26-11-18)16-5-15-7-19(27-12-20(15)28-10-16)8-22(30)21-13-31-23(29-21)14-1-3-25-4-2-14/h5-7,9-14,25H,1-4,8H2
InChIKeyUVDXXZNCMOKTHJ-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.71
Rot. Bonds5

About 2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone

2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone (PubChem CID 152985139) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
PubChem CID152985139
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cncc(F)c3)cnc2cn1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C23H20FN5O2/c24-18-6-17(9-26-11-18)16-5-15-7-19(27-12-20(15)28-10-16)8-22(30)21-13-31-23(29-21)14-1-3-25-4-2-14/h5-7,9-14,25H,1-4,8H2
InChIKeyUVDXXZNCMOKTHJ-UHFFFAOYSA-N
XLogP3.71
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide
CID 18458266
2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide
CID 53641218
2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide
CID 54467626
N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138587272
N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138589125
N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 138590559
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 146940447
2-[6-(5-Fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 147078959
2-[6-(5-Fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 149582901
2-[6-(5-Fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 152947741
2-[2-(5-Fluoro-3-pyridinyl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 158609266
2-[6-(5-Fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 159564748

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone (CID 152985139) is 2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone is O=C(Cc1cc2cc(-c3cncc(F)c3)cnc2cn1)c1coc(C2CCNCC2)n1.
What is the InChIKey of 2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The InChIKey is UVDXXZNCMOKTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-18-6-17(9-26-11-18)16-5-15-7-19(27-12-20(15)28-10-16)8-22(30)21-13-31-23(29-21)14-1-3-25-4-2-14/h5-7,9-14,25H,1-4,8H2.
What are the key properties of 2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone has a molecular weight of 417.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 152985139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).