7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine

C22H29N5O2 — CID 652304

IUPAC7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOCCN1CCN(c2c(C)c(C)nc3cc(-c4cccc(OC)c4)nn23)CC1
InChIInChI=1S/C22H29N5O2/c1-16-17(2)23-21-15-20(18-6-5-7-19(14-18)29-4)24-27(21)22(16)26-10-8-25(9-11-26)12-13-28-3/h5-7,14-15H,8-13H2,1-4H3
InChIKeyZQKVYGJZZKGVAI-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.79
Rot. Bonds6

About 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine

7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 652304) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID652304
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOCCN1CCN(c2c(C)c(C)nc3cc(-c4cccc(OC)c4)nn23)CC1
InChIInChI=1S/C22H29N5O2/c1-16-17(2)23-21-15-20(18-6-5-7-19(14-18)29-4)24-27(21)22(16)26-10-8-25(9-11-26)12-13-28-3/h5-7,14-15H,8-13H2,1-4H3
InChIKeyZQKVYGJZZKGVAI-UHFFFAOYSA-N
XLogP2.79
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine (CID 652304) is 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine is COCCN1CCN(c2c(C)c(C)nc3cc(-c4cccc(OC)c4)nn23)CC1.
What is the InChIKey of 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZQKVYGJZZKGVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-17(2)23-21-15-20(18-6-5-7-19(14-18)29-4)24-27(21)22(16)26-10-8-25(9-11-26)12-13-28-3/h5-7,14-15H,8-13H2,1-4H3.
What are the key properties of 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 395.51 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 652304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).