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

C25H30N4O2 — CID 147231594

IUPAC2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)cn1
InChIInChI=1S/C25H30N4O2/c1-28-17-22(16-27-28)19-2-3-20-15-26-23(13-21(20)12-19)14-25(30)18-4-6-24(7-5-18)29-8-10-31-11-9-29/h2-3,12-13,15-18,24H,4-11,14H2,1H3
InChIKeyCJADDMUVECMEOM-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.64
Rot. Bonds5

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

2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone (PubChem CID 147231594) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone
PubChem CID147231594
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)cn1
InChIInChI=1S/C25H30N4O2/c1-28-17-22(16-27-28)19-2-3-20-15-26-23(13-21(20)12-19)14-25(30)18-4-6-24(7-5-18)29-8-10-31-11-9-29/h2-3,12-13,15-18,24H,4-11,14H2,1H3
InChIKeyCJADDMUVECMEOM-UHFFFAOYSA-N
XLogP3.64
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)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
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 132055455
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
2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 130386704
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone?
The IUPAC name of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone (CID 147231594) is 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone.
What is the SMILES notation for 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone?
The canonical SMILES for 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone is Cn1cc(-c2ccc3cnc(CC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)cn1.
What is the InChIKey of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone?
The InChIKey is CJADDMUVECMEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-28-17-22(16-27-28)19-2-3-20-15-26-23(13-21(20)12-19)14-25(30)18-4-6-24(7-5-18)29-8-10-31-11-9-29/h2-3,12-13,15-18,24H,4-11,14H2,1H3.
What are the key properties of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone?
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone has a molecular weight of 418.54 g/mol, XLogP of 3.64, 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-(4-morpholin-4-ylcyclohexyl)ethanone is sourced from PubChem (CID 147231594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).