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

C26H21Cl2FN6O — CID 71200162

IUPAC[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(c2cnc(-c3ccc(Cl)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C26H21Cl2FN6O/c1-16-3-2-7-31-23(16)26(36)35-11-9-34(10-12-35)22-15-32-24(19-5-4-17(27)13-21(19)29)25(33-22)18-6-8-30-14-20(18)28/h2-8,13-15H,9-12H2,1H3
InChIKeyVFQKVWQSDLCHST-UHFFFAOYSA-N
MW523.40 g/mol
LogP5.32
Rot. Bonds4

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

[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 71200162) has the molecular formula C26H21Cl2FN6O and a molecular weight of 523.40 g/mol. Its IUPAC name is [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID71200162
Molecular FormulaC26H21Cl2FN6O
Molecular Weight523.40 g/mol
Exact Mass522.11
IUPAC Name[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(c2cnc(-c3ccc(Cl)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C26H21Cl2FN6O/c1-16-3-2-7-31-23(16)26(36)35-11-9-34(10-12-35)22-15-32-24(19-5-4-17(27)13-21(19)29)25(33-22)18-6-8-30-14-20(18)28/h2-8,13-15H,9-12H2,1H3
InChIKeyVFQKVWQSDLCHST-UHFFFAOYSA-N
XLogP5.32
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 143313240
[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-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 143313220
[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
(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
2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine
CID 71199738
3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-methylsulfonylpiperidin-1-yl)pyrazine
CID 71200314
3-chloro-4-methylpyridine;ethane;[4-[5-(3-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 143313817
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 71200135
N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide
CID 143313715

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (CID 71200162) is [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1CCN(c2cnc(-c3ccc(Cl)cc3F)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is VFQKVWQSDLCHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2FN6O/c1-16-3-2-7-31-23(16)26(36)35-11-9-34(10-12-35)22-15-32-24(19-5-4-17(27)13-21(19)29)25(33-22)18-6-8-30-14-20(18)28/h2-8,13-15H,9-12H2,1H3.
What are the key properties of [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 523.40 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 71200162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).