2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone

C21H22N4O2 — CID 146762259

IUPAC2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4CN(C5COC5)C4)cc3c2)cn1
InChIInChI=1S/C21H22N4O2/c1-24-9-17(8-23-24)14-2-3-15-7-22-19(5-16(15)4-14)6-21(26)18-10-25(11-18)20-12-27-13-20/h2-5,7-9,18,20H,6,10-13H2,1H3
InChIKeyRPQXOXHNNYRTDI-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.08
Rot. Bonds5

About 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone

2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone (PubChem CID 146762259) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone.

Molecular Properties

Compound Name2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
PubChem CID146762259
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4CN(C5COC5)C4)cc3c2)cn1
InChIInChI=1S/C21H22N4O2/c1-24-9-17(8-23-24)14-2-3-15-7-22-19(5-16(15)4-14)6-21(26)18-10-25(11-18)20-12-27-13-20/h2-5,7-9,18,20H,6,10-13H2,1H3
InChIKeyRPQXOXHNNYRTDI-UHFFFAOYSA-N
XLogP2.08
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]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

(3-methoxyazetidin-1-yl) (4-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)isoquinolin-6-yl)methanone
CID 118660764
(4-(4-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)phenyl)isoquinolin-6-yl) (3-methoxyazetidin-1-yl)methanone
CID 118660876
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
2-[8-Fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanone
CID 146759666
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-(2-Fluoroethyl)piperazin-1-yl]-3-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]propan-2-one
CID 146854762
2-[6-(1-Methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]azetidin-3-yl]ethanone
CID 146906478
1-(4,4-difluorocyclohexyl)-2-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]isoquinolin-3-yl]ethanone
CID 147005207
1-(1-Fluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 147094002

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone?
The IUPAC name of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone (CID 146762259) is 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone.
What is the SMILES notation for 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone?
The canonical SMILES for 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone is Cn1cc(-c2ccc3cnc(CC(=O)C4CN(C5COC5)C4)cc3c2)cn1.
What is the InChIKey of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone?
The InChIKey is RPQXOXHNNYRTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-9-17(8-23-24)14-2-3-15-7-22-19(5-16(15)4-14)6-21(26)18-10-25(11-18)20-12-27-13-20/h2-5,7-9,18,20H,6,10-13H2,1H3.
What are the key properties of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone?
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)azetidin-3-yl]ethanone has a molecular weight of 362.43 g/mol, XLogP of 2.08, 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-[1-(oxetan-3-yl)azetidin-3-yl]ethanone is sourced from PubChem (CID 146762259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).