3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine

C23H29N5O — CID 95855360

IUPAC3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine
SMILESc1ccc(OCCn2nc(C3CCN(C4CCCC4)CC3)c3nccnc32)cc1
InChIInChI=1S/C23H29N5O/c1-2-8-20(9-3-1)29-17-16-28-23-22(24-12-13-25-23)21(26-28)18-10-14-27(15-11-18)19-6-4-5-7-19/h1-3,8-9,12-13,18-19H,4-7,10-11,14-17H2
InChIKeyCXNNULQMIYCVNK-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.03
Rot. Bonds6

About 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine

3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine (PubChem CID 95855360) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine
PubChem CID95855360
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine
SMILESc1ccc(OCCn2nc(C3CCN(C4CCCC4)CC3)c3nccnc32)cc1
InChIInChI=1S/C23H29N5O/c1-2-8-20(9-3-1)29-17-16-28-23-22(24-12-13-25-23)21(26-28)18-10-14-27(15-11-18)19-6-4-5-7-19/h1-3,8-9,12-13,18-19H,4-7,10-11,14-17H2
InChIKeyCXNNULQMIYCVNK-UHFFFAOYSA-N
XLogP4.03
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine (CID 95855360) is 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine is c1ccc(OCCn2nc(C3CCN(C4CCCC4)CC3)c3nccnc32)cc1.
What is the InChIKey of 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine?
The InChIKey is CXNNULQMIYCVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-2-8-20(9-3-1)29-17-16-28-23-22(24-12-13-25-23)21(26-28)18-10-14-27(15-11-18)19-6-4-5-7-19/h1-3,8-9,12-13,18-19H,4-7,10-11,14-17H2.
What are the key properties of 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine?
3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine has a molecular weight of 391.52 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 95855360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).