6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C25H27N5O3 — CID 118392586

IUPAC6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc(OC)c1OC
InChIInChI=1S/C25H27N5O3/c1-31-22-12-18(13-23(32-2)24(22)33-3)21-15-28-30-16-19(14-27-25(21)30)17-4-6-20(7-5-17)29-10-8-26-9-11-29/h4-7,12-16,26H,8-11H2,1-3H3
InChIKeyOTMZESJOOWWVGH-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.50
Rot. Bonds6

About 6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 118392586) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID118392586
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc(OC)c1OC
InChIInChI=1S/C25H27N5O3/c1-31-22-12-18(13-23(32-2)24(22)33-3)21-15-28-30-16-19(14-27-25(21)30)17-4-6-20(7-5-17)29-10-8-26-9-11-29/h4-7,12-16,26H,8-11H2,1-3H3
InChIKeyOTMZESJOOWWVGH-UHFFFAOYSA-N
XLogP3.50
TPSA73.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 118392586) is 6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc(OC)c1OC.
What is the InChIKey of 6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is OTMZESJOOWWVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-31-22-12-18(13-23(32-2)24(22)33-3)21-15-28-30-16-19(14-27-25(21)30)17-4-6-20(7-5-17)29-10-8-26-9-11-29/h4-7,12-16,26H,8-11H2,1-3H3.
What are the key properties of 6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 445.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118392586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).