3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C20H22N6O2 — CID 11538121

IUPAC3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4nc(C)no4)cc(C)nc23)c(C)c1
InChIInChI=1S/C20H22N6O2/c1-11-8-15(27-5)6-7-16(11)19-13(3)24-26-17(9-12(2)22-20(19)26)21-10-18-23-14(4)25-28-18/h6-9,21H,10H2,1-5H3
InChIKeyGMNIAWVWEHSPJB-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.63
Rot. Bonds5

About 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11538121) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11538121
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4nc(C)no4)cc(C)nc23)c(C)c1
InChIInChI=1S/C20H22N6O2/c1-11-8-15(27-5)6-7-16(11)19-13(3)24-26-17(9-12(2)22-20(19)26)21-10-18-23-14(4)25-28-18/h6-9,21H,10H2,1-5H3
InChIKeyGMNIAWVWEHSPJB-UHFFFAOYSA-N
XLogP3.63
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 11538121) is 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nn3c(NCc4nc(C)no4)cc(C)nc23)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GMNIAWVWEHSPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-11-8-15(27-5)6-7-16(11)19-13(3)24-26-17(9-12(2)22-20(19)26)21-10-18-23-14(4)25-28-18/h6-9,21H,10H2,1-5H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 378.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11538121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).