2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine

C20H25ClFN5 — CID 10134952

IUPAC2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine
SMILESFc1ccc(-c2cncc(N3CCN(CCN4CCCC4)CC3)n2)cc1Cl
InChIInChI=1S/C20H25ClFN5/c21-17-13-16(3-4-18(17)22)19-14-23-15-20(24-19)27-11-9-26(10-12-27)8-7-25-5-1-2-6-25/h3-4,13-15H,1-2,5-12H2
InChIKeyGGKVATXZKCHJFB-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.15
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine

2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine (PubChem CID 10134952) has the molecular formula C20H25ClFN5 and a molecular weight of 389.91 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine
PubChem CID10134952
Molecular FormulaC20H25ClFN5
Molecular Weight389.91 g/mol
Exact Mass389.18
IUPAC Name2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine
SMILESFc1ccc(-c2cncc(N3CCN(CCN4CCCC4)CC3)n2)cc1Cl
InChIInChI=1S/C20H25ClFN5/c21-17-13-16(3-4-18(17)22)19-14-23-15-20(24-19)27-11-9-26(10-12-27)8-7-25-5-1-2-6-25/h3-4,13-15H,1-2,5-12H2
InChIKeyGGKVATXZKCHJFB-UHFFFAOYSA-N
XLogP3.15
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine (CID 10134952) is 2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine is Fc1ccc(-c2cncc(N3CCN(CCN4CCCC4)CC3)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine?
The InChIKey is GGKVATXZKCHJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN5/c21-17-13-16(3-4-18(17)22)19-14-23-15-20(24-19)27-11-9-26(10-12-27)8-7-25-5-1-2-6-25/h3-4,13-15H,1-2,5-12H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine?
2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine has a molecular weight of 389.91 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 10134952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).