2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone

C23H26N4O2 — CID 147308699

IUPAC2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4CC(N5CCOCC5)C4)cc3c2)cn1
InChIInChI=1S/C23H26N4O2/c1-26-15-20(14-25-26)16-2-3-17-13-24-21(9-18(17)8-16)12-23(28)19-10-22(11-19)27-4-6-29-7-5-27/h2-3,8-9,13-15,19,22H,4-7,10-12H2,1H3
InChIKeyCXNGZLFUAGCWQQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.86
Rot. Bonds5

About 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone

2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone (PubChem CID 147308699) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone.

Molecular Properties

Compound Name2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone
PubChem CID147308699
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4CC(N5CCOCC5)C4)cc3c2)cn1
InChIInChI=1S/C23H26N4O2/c1-26-15-20(14-25-26)16-2-3-17-13-24-21(9-18(17)8-16)12-23(28)19-10-22(11-19)27-4-6-29-7-5-27/h2-3,8-9,13-15,19,22H,4-7,10-12H2,1H3
InChIKeyCXNGZLFUAGCWQQ-UHFFFAOYSA-N
XLogP2.86
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(6-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132168907
1-[3-(6-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132169133
1-[3-(5-ethylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186468
1-[3-(5-methylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186772
4-[[4-[5,7-Dimethyl-4-(2-methylpyrazol-3-yl)-6-quinolyl]phenyl]methyl]morpholine
CID 126593695
US11247989, Example 6
CID 132168882
US10696655, Example 88
CID 132169422
6-ethyl-2-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-ylcarbonyl)quinoline
CID 29183031
7-fluoro-2-(1-methyl-1H-pyrazol-4-yl)-4-(4-morpholinylcarbonyl)quinoline
CID 31045230
1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 117647015
1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 117647026
1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 117647027

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone?
The IUPAC name of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone (CID 147308699) is 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone.
What is the SMILES notation for 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone?
The canonical SMILES for 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone is Cn1cc(-c2ccc3cnc(CC(=O)C4CC(N5CCOCC5)C4)cc3c2)cn1.
What is the InChIKey of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone?
The InChIKey is CXNGZLFUAGCWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-26-15-20(14-25-26)16-2-3-17-13-24-21(9-18(17)8-16)12-23(28)19-10-22(11-19)27-4-6-29-7-5-27/h2-3,8-9,13-15,19,22H,4-7,10-12H2,1H3.
What are the key properties of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone?
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone has a molecular weight of 390.49 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(3-morpholin-4-ylcyclobutyl)ethanone is sourced from PubChem (CID 147308699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).