2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide

C17H20N8O2 — CID 57428508

IUPAC2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccon3)n2)CC1
InChIInChI=1S/C17H20N8O2/c1-23-6-8-24(9-7-23)12-16(26)19-14-11-15(25-5-2-4-18-25)21-17(20-14)13-3-10-27-22-13/h2-5,10-11H,6-9,12H2,1H3,(H,19,20,21,26)
InChIKeyJRYPUHLTMFLKPC-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.50
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide

2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide (PubChem CID 57428508) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide
PubChem CID57428508
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccon3)n2)CC1
InChIInChI=1S/C17H20N8O2/c1-23-6-8-24(9-7-23)12-16(26)19-14-11-15(25-5-2-4-18-25)21-17(20-14)13-3-10-27-22-13/h2-5,10-11H,6-9,12H2,1H3,(H,19,20,21,26)
InChIKeyJRYPUHLTMFLKPC-UHFFFAOYSA-N
XLogP0.50
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide
CID 11380183
N-[2-(furan-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768400
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 57428503
N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
CID 160746986
2-(4-methylpiperazin-1-yl)-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 126537449
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
4-chloro-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]benzoic acid
CID 43659200
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963401
N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]-2-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]acetamide
CID 67052168
2-(4-methyl-1,4-diazepan-1-yl)-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)acetamide
CID 138387553
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138591471

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide (CID 57428508) is 2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide is CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccon3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide?
The InChIKey is JRYPUHLTMFLKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-23-6-8-24(9-7-23)12-16(26)19-14-11-15(25-5-2-4-18-25)21-17(20-14)13-3-10-27-22-13/h2-5,10-11H,6-9,12H2,1H3,(H,19,20,21,26).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide has a molecular weight of 368.40 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 57428508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).