(1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C20H27N5O2 — CID 133137344

IUPAC(1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCCN1CCC(C(=O)N2Cc3ccnn3C(COc3ccccn3)C2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-23-11-7-16(8-12-23)20(26)24-13-17-6-10-22-25(17)18(14-24)15-27-19-5-3-4-9-21-19/h3-6,9-10,16,18H,2,7-8,11-15H2,1H3
InChIKeyAZJFNDNVLIRMHT-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.97
Rot. Bonds5

About (1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 133137344) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID133137344
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCCN1CCC(C(=O)N2Cc3ccnn3C(COc3ccccn3)C2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-23-11-7-16(8-12-23)20(26)24-13-17-6-10-22-25(17)18(14-24)15-27-19-5-3-4-9-21-19/h3-6,9-10,16,18H,2,7-8,11-15H2,1H3
InChIKeyAZJFNDNVLIRMHT-UHFFFAOYSA-N
XLogP1.97
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 133137344) is (1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is CCN1CCC(C(=O)N2Cc3ccnn3C(COc3ccccn3)C2)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is AZJFNDNVLIRMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-23-11-7-16(8-12-23)20(26)24-13-17-6-10-22-25(17)18(14-24)15-27-19-5-3-4-9-21-19/h3-6,9-10,16,18H,2,7-8,11-15H2,1H3.
What are the key properties of (1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 133137344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).