3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C23H24N4O5 — CID 44527177

IUPAC3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2cnn3ccc(Nc4cc(OC)c(OC)c(OC)c4)nc23)cc1OC
InChIInChI=1S/C23H24N4O5/c1-28-17-7-6-14(10-18(17)29-2)16-13-24-27-9-8-21(26-23(16)27)25-15-11-19(30-3)22(32-5)20(12-15)31-4/h6-13H,1-5H3,(H,25,26)
InChIKeyUIOPHZBCCOAVTE-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.18
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 44527177) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID44527177
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2cnn3ccc(Nc4cc(OC)c(OC)c(OC)c4)nc23)cc1OC
InChIInChI=1S/C23H24N4O5/c1-28-17-7-6-14(10-18(17)29-2)16-13-24-27-9-8-21(26-23(16)27)25-15-11-19(30-3)22(32-5)20(12-15)31-4/h6-13H,1-5H3,(H,25,26)
InChIKeyUIOPHZBCCOAVTE-UHFFFAOYSA-N
XLogP4.18
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 44527177) is 3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(-c2cnn3ccc(Nc4cc(OC)c(OC)c(OC)c4)nc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is UIOPHZBCCOAVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-28-17-7-6-14(10-18(17)29-2)16-13-24-27-9-8-21(26-23(16)27)25-15-11-19(30-3)22(32-5)20(12-15)31-4/h6-13H,1-5H3,(H,25,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 436.47 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 44527177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).