1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone

C22H24N4O2 — CID 146823372

IUPAC1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCN(C2COC2)CC1
InChIInChI=1S/C22H24N4O2/c27-22(15-3-5-26(6-4-15)21-13-28-14-21)9-20-8-18-7-16(19-11-24-25-12-19)1-2-17(18)10-23-20/h1-2,7-8,10-12,15,21H,3-6,9,13-14H2,(H,24,25)
InChIKeySCMAARAQGYNVII-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.85
Rot. Bonds5

About 1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone

1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone (PubChem CID 146823372) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
PubChem CID146823372
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCN(C2COC2)CC1
InChIInChI=1S/C22H24N4O2/c27-22(15-3-5-26(6-4-15)21-13-28-14-21)9-20-8-18-7-16(19-11-24-25-12-19)1-2-17(18)10-23-20/h1-2,7-8,10-12,15,21H,3-6,9,13-14H2,(H,24,25)
InChIKeySCMAARAQGYNVII-UHFFFAOYSA-N
XLogP2.85
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone with MolForge

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Related Compounds

US11479551, Example 4-222
CID 166176056
3-methyl-1-[4-[5-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]propyl]phenyl]-1H-pyrazol-4-yl]-2-pyridinyl]butan-2-one
CID 58302759
2-[6-(1-Methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethanone
CID 146724024
1-[4-Fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 146725097
2-[7-Fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone
CID 146751669
1-[3-Fluoro-1-(2-methoxyethyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 146758995
1-[4-Fluoro-1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 146774765
1-[4-(difluoromethyl)piperidin-1-yl]-3-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 146882570
1-(1-Fluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 147094002
1-[1-(2,2-Difluoropropyl)piperidin-4-yl]-2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 147097689
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 147144295
1-[1-(2,2-Difluoroethyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 147171060

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone (CID 146823372) is 1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone is O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCN(C2COC2)CC1.
What is the InChIKey of 1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone?
The InChIKey is SCMAARAQGYNVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(15-3-5-26(6-4-15)21-13-28-14-21)9-20-8-18-7-16(19-11-24-25-12-19)1-2-17(18)10-23-20/h1-2,7-8,10-12,15,21H,3-6,9,13-14H2,(H,24,25).
What are the key properties of 1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone?
1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone has a molecular weight of 376.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxetan-3-yl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 146823372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).