2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

C19H18ClN5 — CID 6482651

IUPAC2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESClc1cccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c1
InChIInChI=1S/C19H18ClN5/c20-16-3-1-2-15(12-16)18-13-22-14-19(23-18)25-10-8-24(9-11-25)17-4-6-21-7-5-17/h1-7,12-14H,8-11H2
InChIKeyURHDLQYYFBJUKP-UHFFFAOYSA-N
MW351.84 g/mol
LogP3.52
Rot. Bonds3

About 2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (PubChem CID 6482651) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
PubChem CID6482651
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC Name2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESClc1cccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c1
InChIInChI=1S/C19H18ClN5/c20-16-3-1-2-15(12-16)18-13-22-14-19(23-18)25-10-8-24(9-11-25)17-4-6-21-7-5-17/h1-7,12-14H,8-11H2
InChIKeyURHDLQYYFBJUKP-UHFFFAOYSA-N
XLogP3.52
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (CID 6482651) is 2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is Clc1cccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The InChIKey is URHDLQYYFBJUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5/c20-16-3-1-2-15(12-16)18-13-22-14-19(23-18)25-10-8-24(9-11-25)17-4-6-21-7-5-17/h1-7,12-14H,8-11H2.
What are the key properties of 2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine has a molecular weight of 351.84 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 6482651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).