6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one

C21H24N6O3 — CID 151857267

IUPAC6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ccccc1-c1nc2c(CCC)n(-c3noc(C)n3)nc2c(=O)n1C
InChIInChI=1S/C21H24N6O3/c1-5-9-15-17-18(24-27(15)21-22-13(3)30-25-21)20(28)26(4)19(23-17)14-10-7-8-11-16(14)29-12-6-2/h7-8,10-11H,5-6,9,12H2,1-4H3
InChIKeySJYKGLKCJGTCCI-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.22
Rot. Bonds7

About 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one

6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 151857267) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
PubChem CID151857267
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ccccc1-c1nc2c(CCC)n(-c3noc(C)n3)nc2c(=O)n1C
InChIInChI=1S/C21H24N6O3/c1-5-9-15-17-18(24-27(15)21-22-13(3)30-25-21)20(28)26(4)19(23-17)14-10-7-8-11-16(14)29-12-6-2/h7-8,10-11H,5-6,9,12H2,1-4H3
InChIKeySJYKGLKCJGTCCI-UHFFFAOYSA-N
XLogP3.22
TPSA100.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one 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

6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpyrazolo[4,3-d]pyrimidin-7-one
CID 150845793
6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one
CID 152597425
6-methyl-2-(2-methyl-1,3-thiazol-4-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
CID 150681830
5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one
CID 150793217
3-(chloromethyl)-1-methyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518755
2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide
CID 82444153
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine
CID 106418495
3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 22325515
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 46043975
2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol
CID 46986760
5-[2-ethoxy-5-[3-[(4,4,4-trifluoro-3-oxobutyl)amino]azetidin-1-yl]sulfonyl-3-pyridinyl]-6-methyl-3-propyl-2-pyridin-2-ylpyrazolo[4,3-d]pyrimidin-7-one
CID 151251829

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one (CID 151857267) is 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one is CCCOc1ccccc1-c1nc2c(CCC)n(-c3noc(C)n3)nc2c(=O)n1C.
What is the InChIKey of 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is SJYKGLKCJGTCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-5-9-15-17-18(24-27(15)21-22-13(3)30-25-21)20(28)26(4)19(23-17)14-10-7-8-11-16(14)29-12-6-2/h7-8,10-11H,5-6,9,12H2,1-4H3.
What are the key properties of 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one?
6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 408.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-(2-propoxyphenyl)-3-propylpyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 151857267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).