4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine

C26H28N4O2 — CID 53333721

IUPAC4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(-c2cc3c(N4CCC(Cc5ccccc5)CC4)nccn3n2)cc1OC
InChIInChI=1S/C26H28N4O2/c1-31-24-9-8-21(17-25(24)32-2)22-18-23-26(27-12-15-30(23)28-22)29-13-10-20(11-14-29)16-19-6-4-3-5-7-19/h3-9,12,15,17-18,20H,10-11,13-14,16H2,1-2H3
InChIKeyBYCNYGBCFRAXTG-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.87
Rot. Bonds6

About 4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine

4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 53333721) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine
PubChem CID53333721
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(-c2cc3c(N4CCC(Cc5ccccc5)CC4)nccn3n2)cc1OC
InChIInChI=1S/C26H28N4O2/c1-31-24-9-8-21(17-25(24)32-2)22-18-23-26(27-12-15-30(23)28-22)29-13-10-20(11-14-29)16-19-6-4-3-5-7-19/h3-9,12,15,17-18,20H,10-11,13-14,16H2,1-2H3
InChIKeyBYCNYGBCFRAXTG-UHFFFAOYSA-N
XLogP4.87
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine (CID 53333721) is 4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine is COc1ccc(-c2cc3c(N4CCC(Cc5ccccc5)CC4)nccn3n2)cc1OC.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is BYCNYGBCFRAXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-31-24-9-8-21(17-25(24)32-2)22-18-23-26(27-12-15-30(23)28-22)29-13-10-20(11-14-29)16-19-6-4-3-5-7-19/h3-9,12,15,17-18,20H,10-11,13-14,16H2,1-2H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine?
4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 428.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).