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

C22H26N6O2 — CID 11509709

IUPAC3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nnc(C)o1
InChIInChI=1S/C22H26N6O2/c1-7-18(22-26-25-15(5)30-22)24-19-11-13(3)23-21-20(14(4)27-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,24H,7H2,1-6H3
InChIKeyHRJYCFFNXMXFKB-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.58
Rot. Bonds6

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

3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11509709) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11509709
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nnc(C)o1
InChIInChI=1S/C22H26N6O2/c1-7-18(22-26-25-15(5)30-22)24-19-11-13(3)23-21-20(14(4)27-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,24H,7H2,1-6H3
InChIKeyHRJYCFFNXMXFKB-UHFFFAOYSA-N
XLogP4.58
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 11509709) is 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCC(Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nnc(C)o1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HRJYCFFNXMXFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-7-18(22-26-25-15(5)30-22)24-19-11-13(3)23-21-20(14(4)27-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,24H,7H2,1-6H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 406.49 g/mol, XLogP of 4.58, 6 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-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11509709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).