1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone

C23H24N6O2 — CID 147861601

IUPAC1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCN1CCN(c2ncc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1
InChIInChI=1S/C23H24N6O2/c1-27-5-7-29(8-6-27)23-25-14-22(31-23)21(30)11-20-10-18-9-16(3-4-17(18)12-24-20)19-13-26-28(2)15-19/h3-4,9-10,12-15H,5-8,11H2,1-2H3
InChIKeyHWUTZRARJPITQV-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone

1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone (PubChem CID 147861601) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
PubChem CID147861601
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
SMILESCN1CCN(c2ncc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1
InChIInChI=1S/C23H24N6O2/c1-27-5-7-29(8-6-27)23-25-14-22(31-23)21(30)11-20-10-18-9-16(3-4-17(18)12-24-20)19-13-26-28(2)15-19/h3-4,9-10,12-15H,5-8,11H2,1-2H3
InChIKeyHWUTZRARJPITQV-UHFFFAOYSA-N
XLogP2.80
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 138585655
2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 146617128
5-Benzyl-2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,3-oxazole
CID 168264144
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 138585715
2-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1,3-oxazole-5-carboxamide
CID 138586933
2-(4-methylpiperazin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-oxazole-5-carboxamide
CID 138588000
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1,3-oxazole-5-carboxamide
CID 138588697
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-oxazole-5-carboxamide
CID 138591375
2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 142575209
1-[2-(4-Methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 147890174
1-[2-[3-(Dimethylamino)azetidin-1-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 148035707
2-[6-(1-Methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]ethanone
CID 148707545

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone (CID 147861601) is 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone is CN1CCN(c2ncc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
The InChIKey is HWUTZRARJPITQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-27-5-7-29(8-6-27)23-25-14-22(31-23)21(30)11-20-10-18-9-16(3-4-17(18)12-24-20)19-13-26-28(2)15-19/h3-4,9-10,12-15H,5-8,11H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone?
1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone has a molecular weight of 416.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 147861601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).