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

C23H20FN5O2 — CID 159564748

IUPAC2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cncc(F)c3)ncc2cn1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C23H20FN5O2/c24-18-5-16(9-26-12-18)20-7-15-6-19(27-10-17(15)11-28-20)8-22(30)21-13-31-23(29-21)14-1-3-25-4-2-14/h5-7,9-14,25H,1-4,8H2
InChIKeyMHBCPQDLCKFBDN-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.71
Rot. Bonds5

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

2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone (PubChem CID 159564748) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
PubChem CID159564748
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cncc(F)c3)ncc2cn1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C23H20FN5O2/c24-18-5-16(9-26-12-18)20-7-15-6-19(27-10-17(15)11-28-20)8-22(30)21-13-31-23(29-21)14-1-3-25-4-2-14/h5-7,9-14,25H,1-4,8H2
InChIKeyMHBCPQDLCKFBDN-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

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

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Launch Full Analysis

Related Compounds

N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 138590049
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-[7-(5-Fluoro-3-pyridinyl)quinazolin-2-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 148290262
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-[3-(5-Fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 152985139
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 153130496
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)isoquinolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 159655174
2-[6-(5-Fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 159655175
2-[6-(5-Fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 159718357

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone (CID 159564748) is 2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone is O=C(Cc1cc2cc(-c3cncc(F)c3)ncc2cn1)c1coc(C2CCNCC2)n1.
What is the InChIKey of 2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The InChIKey is MHBCPQDLCKFBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-18-5-16(9-26-12-18)20-7-15-6-19(27-10-17(15)11-28-20)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-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
2-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-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-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 159564748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).