N-ethyl-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

C22H26N6O2 — CID 11589539

IUPACN-ethyl-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
SMILESCCN(Cc1nc(C)no1)c1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12
InChIInChI=1S/C22H26N6O2/c1-7-27(12-19-24-16(5)26-30-19)20-11-14(3)23-22-21(15(4)25-28(20)22)18-9-8-17(29-6)10-13(18)2/h8-11H,7,12H2,1-6H3
InChIKeyMFLCCPMKMSCQMJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.05
Rot. Bonds6

About N-ethyl-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

N-ethyl-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 11589539) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-ethyl-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 NameN-ethyl-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 CID11589539
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-ethyl-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
SMILESCCN(Cc1nc(C)no1)c1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12
InChIInChI=1S/C22H26N6O2/c1-7-27(12-19-24-16(5)26-30-19)20-11-14(3)23-22-21(15(4)25-28(20)22)18-9-8-17(29-6)10-13(18)2/h8-11H,7,12H2,1-6H3
InChIKeyMFLCCPMKMSCQMJ-UHFFFAOYSA-N
XLogP4.05
TPSA81.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-ethyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-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 N-ethyl-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 11589539) is N-ethyl-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 N-ethyl-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 N-ethyl-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 CCN(Cc1nc(C)no1)c1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12.
What is the InChIKey of N-ethyl-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 MFLCCPMKMSCQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-7-27(12-19-24-16(5)26-30-19)20-11-14(3)23-22-21(15(4)25-28(20)22)18-9-8-17(29-6)10-13(18)2/h8-11H,7,12H2,1-6H3.
What are the key properties of N-ethyl-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?
N-ethyl-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 406.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-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 11589539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).