6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane

C20H26N6 — CID 171849644

IUPAC6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane
SMILESc1cnc(N2CCN(C3CCC4(CNC4)C3)CC2)c(-c2cnccn2)c1
InChIInChI=1S/C20H26N6/c1-2-17(18-13-21-6-7-23-18)19(24-5-1)26-10-8-25(9-11-26)16-3-4-20(12-16)14-22-15-20/h1-2,5-7,13,16,22H,3-4,8-12,14-15H2
InChIKeyPWHGEUQNRXAQBA-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.80
Rot. Bonds3

About 6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane

6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane (PubChem CID 171849644) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane
PubChem CID171849644
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane
SMILESc1cnc(N2CCN(C3CCC4(CNC4)C3)CC2)c(-c2cnccn2)c1
InChIInChI=1S/C20H26N6/c1-2-17(18-13-21-6-7-23-18)19(24-5-1)26-10-8-25(9-11-26)16-3-4-20(12-16)14-22-15-20/h1-2,5-7,13,16,22H,3-4,8-12,14-15H2
InChIKeyPWHGEUQNRXAQBA-UHFFFAOYSA-N
XLogP1.80
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane?
The IUPAC name of 6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane (CID 171849644) is 6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane.
What is the SMILES notation for 6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane?
The canonical SMILES for 6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane is c1cnc(N2CCN(C3CCC4(CNC4)C3)CC2)c(-c2cnccn2)c1.
What is the InChIKey of 6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane?
The InChIKey is PWHGEUQNRXAQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-2-17(18-13-21-6-7-23-18)19(24-5-1)26-10-8-25(9-11-26)16-3-4-20(12-16)14-22-15-20/h1-2,5-7,13,16,22H,3-4,8-12,14-15H2.
What are the key properties of 6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane?
6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane has a molecular weight of 350.47 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane is sourced from PubChem (CID 171849644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).