4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine

C24H26N6O2 — CID 661075

IUPAC4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCOc1cccc(OCCN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1
InChIInChI=1S/C24H26N6O2/c1-31-20-8-5-9-21(16-20)32-15-14-28-10-12-29(13-11-28)23-22-17-27-30(24(22)26-18-25-23)19-6-3-2-4-7-19/h2-9,16-18H,10-15H2,1H3
InChIKeyCIYAUWZIWKJLKL-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.03
Rot. Bonds7

About 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine

4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 661075) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID661075
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCOc1cccc(OCCN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1
InChIInChI=1S/C24H26N6O2/c1-31-20-8-5-9-21(16-20)32-15-14-28-10-12-29(13-11-28)23-22-17-27-30(24(22)26-18-25-23)19-6-3-2-4-7-19/h2-9,16-18H,10-15H2,1H3
InChIKeyCIYAUWZIWKJLKL-UHFFFAOYSA-N
XLogP3.03
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (CID 661075) is 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is COc1cccc(OCCN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1.
What is the InChIKey of 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is CIYAUWZIWKJLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-31-20-8-5-9-21(16-20)32-15-14-28-10-12-29(13-11-28)23-22-17-27-30(24(22)26-18-25-23)19-6-3-2-4-7-19/h2-9,16-18H,10-15H2,1H3.
What are the key properties of 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 430.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 661075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).