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

C22H26N6O2 — CID 11697131

IUPAC3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NC(C)Cc4nnc(C)o4)cc(C)nc23)c(C)c1
InChIInChI=1S/C22H26N6O2/c1-12-9-17(29-6)7-8-18(12)21-15(4)27-28-19(10-13(2)24-22(21)28)23-14(3)11-20-26-25-16(5)30-20/h7-10,14,23H,11H2,1-6H3
InChIKeyAAWLWIAKLNIQGZ-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.06
Rot. Bonds6

About 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]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)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11697131) 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)propan-2-yl]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)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11697131
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)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NC(C)Cc4nnc(C)o4)cc(C)nc23)c(C)c1
InChIInChI=1S/C22H26N6O2/c1-12-9-17(29-6)7-8-18(12)21-15(4)27-28-19(10-13(2)24-22(21)28)23-14(3)11-20-26-25-16(5)30-20/h7-10,14,23H,11H2,1-6H3
InChIKeyAAWLWIAKLNIQGZ-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
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)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

Verucerfont
CID 11596613
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
Pyrazolo[1,5-a]-1,3,5-triazine, 12-15
CID 42618178
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
Pyrazolo[1,5-a]-1,3,5-triazine, 12-16
CID 9820671
Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166
Pyrazolo[1,5-a]-1,3,5-triazine, 12-4
CID 42618167
Pyrazolo[1,5-a]-1,3,5-triazine, 12-5
CID 42618168
Pyrazolo[1,5-a]-1,3,5-triazine, 12-6
CID 42618169
Pyrazolo[1,5-a]-1,3,5-triazine, 12-10
CID 42618173
Pyrazolo[1,5-a]-1,3,5-triazine, 12-11
CID 42618174
Pyrazolo[1,5-a]-1,3,5-triazine, 12-12
CID 42618175

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)propan-2-yl]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)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 11697131) is 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]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)propan-2-yl]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)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nn3c(NC(C)Cc4nnc(C)o4)cc(C)nc23)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AAWLWIAKLNIQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-12-9-17(29-6)7-8-18(12)21-15(4)27-28-19(10-13(2)24-22(21)28)23-14(3)11-20-26-25-16(5)30-20/h7-10,14,23H,11H2,1-6H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]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)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 406.49 g/mol, XLogP of 4.06, 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)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11697131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).