2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone

C24H25N5O2 — CID 148707545

IUPAC2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4CCN(Cc5ncco5)CC4)cc3c2)cn1
InChIInChI=1S/C24H25N5O2/c1-28-15-21(14-27-28)18-2-3-19-13-26-22(11-20(19)10-18)12-23(30)17-4-7-29(8-5-17)16-24-25-6-9-31-24/h2-3,6,9-11,13-15,17H,4-5,7-8,12,16H2,1H3
InChIKeyNWOSYPRRUZYILP-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.65
Rot. Bonds6

About 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone

2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone (PubChem CID 148707545) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone
PubChem CID148707545
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)C4CCN(Cc5ncco5)CC4)cc3c2)cn1
InChIInChI=1S/C24H25N5O2/c1-28-15-21(14-27-28)18-2-3-19-13-26-22(11-20(19)10-18)12-23(30)17-4-7-29(8-5-17)16-24-25-6-9-31-24/h2-3,6,9-11,13-15,17H,4-5,7-8,12,16H2,1H3
InChIKeyNWOSYPRRUZYILP-UHFFFAOYSA-N
XLogP3.65
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-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

2-[8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole
CID 118660754
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide
CID 132056019
2-[3-(4-Fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]ethanone
CID 89607980
2-[3-(4-Fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]ethanone
CID 89608182
2-[5-Ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]ethanone
CID 89608197
3-[5-Methyl-1-(1,3-oxazol-2-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171732
2-[1-[3-[3-(4-Fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]prop-1-en-2-yl]piperidin-4-yl]-5-methyl-1,3-oxazole
CID 145587898
2-[1-[3-[3-(4-Fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]prop-1-en-2-yl]piperidin-4-yl]-5-methyl-1,3-oxazole
CID 145588059
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-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole
CID 167130450
2-[(5-Methyl-1,3-oxazol-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 175844976
US20240245673, Example 317
CID 171792180

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone?
The IUPAC name of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone (CID 148707545) is 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone?
The canonical SMILES for 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone is Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(Cc5ncco5)CC4)cc3c2)cn1.
What is the InChIKey of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone?
The InChIKey is NWOSYPRRUZYILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28-15-21(14-27-28)18-2-3-19-13-26-22(11-20(19)10-18)12-23(30)17-4-7-29(8-5-17)16-24-25-6-9-31-24/h2-3,6,9-11,13-15,17H,4-5,7-8,12,16H2,1H3.
What are the key properties of 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone?
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone has a molecular weight of 415.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 148707545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).