2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone

C25H23FN4O2 — CID 159655175

IUPAC2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
SMILESCN1CCC(c2nc(C(=O)Cc3cc4cc(-c5cncc(F)c5)ccc4cn3)co2)CC1
InChIInChI=1S/C25H23FN4O2/c1-30-6-4-16(5-7-30)25-29-23(15-32-25)24(31)11-22-10-19-8-17(2-3-18(19)13-28-22)20-9-21(26)14-27-12-20/h2-3,8-10,12-16H,4-7,11H2,1H3
InChIKeyRBXIHEPCLHVLKB-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.66
Rot. Bonds5

About 2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone

2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone (PubChem CID 159655175) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
PubChem CID159655175
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
SMILESCN1CCC(c2nc(C(=O)Cc3cc4cc(-c5cncc(F)c5)ccc4cn3)co2)CC1
InChIInChI=1S/C25H23FN4O2/c1-30-6-4-16(5-7-30)25-29-23(15-32-25)24(31)11-22-10-19-8-17(2-3-18(19)13-28-22)20-9-21(26)14-27-12-20/h2-3,8-10,12-16H,4-7,11H2,1H3
InChIKeyRBXIHEPCLHVLKB-UHFFFAOYSA-N
XLogP4.66
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 149410419
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)-2,7-naphthyridin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 159564748
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-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 159718357
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159796786

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone (CID 159655175) is 2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone is CN1CCC(c2nc(C(=O)Cc3cc4cc(-c5cncc(F)c5)ccc4cn3)co2)CC1.
What is the InChIKey of 2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is RBXIHEPCLHVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-30-6-4-16(5-7-30)25-29-23(15-32-25)24(31)11-22-10-19-8-17(2-3-18(19)13-28-22)20-9-21(26)14-27-12-20/h2-3,8-10,12-16H,4-7,11H2,1H3.
What are the key properties of 2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?
2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 430.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 159655175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).