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

C26H23FN4O2 — CID 146856194

IUPAC1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cncc(OC4CCNCC4)c3)cnc2cn1)c1ccc(F)cc1
InChIInChI=1S/C26H23FN4O2/c27-21-3-1-17(2-4-21)26(32)12-22-10-18-9-19(14-31-25(18)16-30-22)20-11-24(15-29-13-20)33-23-5-7-28-8-6-23/h1-4,9-11,13-16,23,28H,5-8,12H2
InChIKeySJQMFZLFRHEWPO-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.39
Rot. Bonds6

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

1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 146856194) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone
PubChem CID146856194
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cncc(OC4CCNCC4)c3)cnc2cn1)c1ccc(F)cc1
InChIInChI=1S/C26H23FN4O2/c27-21-3-1-17(2-4-21)26(32)12-22-10-18-9-19(14-31-25(18)16-30-22)20-11-24(15-29-13-20)33-23-5-7-28-8-6-23/h1-4,9-11,13-16,23,28H,5-8,12H2
InChIKeySJQMFZLFRHEWPO-UHFFFAOYSA-N
XLogP4.39
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone (CID 146856194) is 1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone is O=C(Cc1cc2cc(-c3cncc(OC4CCNCC4)c3)cnc2cn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is SJQMFZLFRHEWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-21-3-1-17(2-4-21)26(32)12-22-10-18-9-19(14-31-25(18)16-30-22)20-11-24(15-29-13-20)33-23-5-7-28-8-6-23/h1-4,9-11,13-16,23,28H,5-8,12H2.
What are the key properties of 1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone?
1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 442.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 146856194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).