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

C22H26N6O3 — CID 11531898

IUPAC3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(Nc1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12)c1nc(C)no1
InChIInChI=1S/C22H26N6O3/c1-7-17(22-24-14(4)27-31-22)25-19-10-12(2)23-21-20(13(3)26-28(19)21)16-9-8-15(29-5)11-18(16)30-6/h8-11,17,25H,7H2,1-6H3
InChIKeyOVEINYPAMNLCHO-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.28
Rot. Bonds7

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

3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11531898) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11531898
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(Nc1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12)c1nc(C)no1
InChIInChI=1S/C22H26N6O3/c1-7-17(22-24-14(4)27-31-22)25-19-10-12(2)23-21-20(13(3)26-28(19)21)16-9-8-15(29-5)11-18(16)30-6/h8-11,17,25H,7H2,1-6H3
InChIKeyOVEINYPAMNLCHO-UHFFFAOYSA-N
XLogP4.28
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 11531898) is 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCC(Nc1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12)c1nc(C)no1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OVEINYPAMNLCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-7-17(22-24-14(4)27-31-22)25-19-10-12(2)23-21-20(13(3)26-28(19)21)16-9-8-15(29-5)11-18(16)30-6/h8-11,17,25H,7H2,1-6H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 422.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11531898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).