2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine

C22H23Cl2N5O2S — CID 71199738

IUPAC2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine
SMILESCCS(=O)(=O)N1CCN(c2cnc(-c3ccc(Cl)cc3C)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C22H23Cl2N5O2S/c1-3-32(30,31)29-10-8-28(9-11-29)20-14-26-21(17-5-4-16(23)12-15(17)2)22(27-20)18-6-7-25-13-19(18)24/h4-7,12-14H,3,8-11H2,1-2H3
InChIKeyCDTPDEFPCGBPTN-UHFFFAOYSA-N
MW492.43 g/mol
LogP4.29
Rot. Bonds5

About 2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine

2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine (PubChem CID 71199738) has the molecular formula C22H23Cl2N5O2S and a molecular weight of 492.43 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine
PubChem CID71199738
Molecular FormulaC22H23Cl2N5O2S
Molecular Weight492.43 g/mol
Exact Mass491.09
IUPAC Name2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine
SMILESCCS(=O)(=O)N1CCN(c2cnc(-c3ccc(Cl)cc3C)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C22H23Cl2N5O2S/c1-3-32(30,31)29-10-8-28(9-11-29)20-14-26-21(17-5-4-16(23)12-15(17)2)22(27-20)18-6-7-25-13-19(18)24/h4-7,12-14H,3,8-11H2,1-2H3
InChIKeyCDTPDEFPCGBPTN-UHFFFAOYSA-N
XLogP4.29
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-methylsulfonylpiperidin-1-yl)pyrazine
CID 71200314
[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 71200162
[4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 143313240
1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]propan-1-one
CID 71200253
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide
CID 143312981
8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69173570
(4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 143313416
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 143313564
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(4-fluoro-3-pyridinyl)methanone
CID 71200150
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 89365600
1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 143313537
[4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol
CID 71199820

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine (CID 71199738) is 2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine is CCS(=O)(=O)N1CCN(c2cnc(-c3ccc(Cl)cc3C)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine?
The InChIKey is CDTPDEFPCGBPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O2S/c1-3-32(30,31)29-10-8-28(9-11-29)20-14-26-21(17-5-4-16(23)12-15(17)2)22(27-20)18-6-7-25-13-19(18)24/h4-7,12-14H,3,8-11H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine?
2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine has a molecular weight of 492.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 71199738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).