2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide

C22H23N7O2 — CID 55766189

IUPAC2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccccc3-c3noc(C)n3)c2C)n1
InChIInChI=1S/C22H23N7O2/c1-12-10-13(2)24-22(23-12)29-15(4)18(14(3)27-29)11-20(30)26-19-9-7-6-8-17(19)21-25-16(5)31-28-21/h6-10H,11H2,1-5H3,(H,26,30)
InChIKeyRXYPBIWEWHUIKJ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.44
Rot. Bonds5

About 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (PubChem CID 55766189) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
PubChem CID55766189
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccccc3-c3noc(C)n3)c2C)n1
InChIInChI=1S/C22H23N7O2/c1-12-10-13(2)24-22(23-12)29-15(4)18(14(3)27-29)11-20(30)26-19-9-7-6-8-17(19)21-25-16(5)31-28-21/h6-10H,11H2,1-5H3,(H,26,30)
InChIKeyRXYPBIWEWHUIKJ-UHFFFAOYSA-N
XLogP3.44
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 55672775
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 31889816
tert-butyl N-[[2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]phenyl]methyl]-N-ethylcarbamate
CID 55972746
4-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-ethylbenzamide
CID 55802217
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 30854735
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 55766060
N-[3-(benzenesulfonamido)phenyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55705965
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 95191625
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 31908104
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 55596662
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylsulfanyl-1-phenylpyrazol-5-yl)acetamide
CID 71854348
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55700588

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (CID 55766189) is 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccccc3-c3noc(C)n3)c2C)n1.
What is the InChIKey of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The InChIKey is RXYPBIWEWHUIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-12-10-13(2)24-22(23-12)29-15(4)18(14(3)27-29)11-20(30)26-19-9-7-6-8-17(19)21-25-16(5)31-28-21/h6-10H,11H2,1-5H3,(H,26,30).
What are the key properties of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 55766189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).