[4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone

C26H21Cl3N6O — CID 143313240

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(c2cnc(-c3cc(Cl)ccc3Cl)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C26H21Cl3N6O/c1-16-3-2-7-31-23(16)26(36)35-11-9-34(10-12-35)22-15-32-24(19-13-17(27)4-5-20(19)28)25(33-22)18-6-8-30-14-21(18)29/h2-8,13-15H,9-12H2,1H3
InChIKeyFZOPRCYGRRUPPC-UHFFFAOYSA-N
MW539.85 g/mol
LogP5.83
Rot. Bonds4

About [4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone

[4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 143313240) has the molecular formula C26H21Cl3N6O and a molecular weight of 539.85 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID143313240
Molecular FormulaC26H21Cl3N6O
Molecular Weight539.85 g/mol
Exact Mass538.08
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(c2cnc(-c3cc(Cl)ccc3Cl)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C26H21Cl3N6O/c1-16-3-2-7-31-23(16)26(36)35-11-9-34(10-12-35)22-15-32-24(19-13-17(27)4-5-20(19)28)25(33-22)18-6-8-30-14-21(18)29/h2-8,13-15H,9-12H2,1H3
InChIKeyFZOPRCYGRRUPPC-UHFFFAOYSA-N
XLogP5.83
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.85
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 143313220
2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine
CID 71199738
[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]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 143313564
1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]propan-1-one
CID 71200253
3-chloro-4-methylpyridine;ethane;[4-[5-(3-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 143313817
(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]-[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-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 71200135
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (CID 143313240) is [4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1CCN(c2cnc(-c3cc(Cl)ccc3Cl)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is FZOPRCYGRRUPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl3N6O/c1-16-3-2-7-31-23(16)26(36)35-11-9-34(10-12-35)22-15-32-24(19-13-17(27)4-5-20(19)28)25(33-22)18-6-8-30-14-21(18)29/h2-8,13-15H,9-12H2,1H3.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 539.85 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 143313240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).