(2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone

C17H18ClFN4O — CID 133469270

IUPAC(2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1
InChIInChI=1S/C17H18ClFN4O/c1-11-10-20-12(2)16(21-11)22-5-7-23(8-6-22)17(24)14-4-3-13(19)9-15(14)18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyNLHLEZLAOHWYHB-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.85
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone (PubChem CID 133469270) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
PubChem CID133469270
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1
InChIInChI=1S/C17H18ClFN4O/c1-11-10-20-12(2)16(21-11)22-5-7-23(8-6-22)17(24)14-4-3-13(19)9-15(14)18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyNLHLEZLAOHWYHB-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]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

(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
(2-chloro-4-fluorophenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031867
(2-chloro-4-fluorophenyl)-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 121031840
(2-chloro-4-fluorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 133284692
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194582
(2-chloro-4-fluorophenyl)-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491256
[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 121031770
(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 100520261
(2-chloro-4-fluorophenyl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91892338
(2-chloro-4-fluorophenyl)-[4-[2-(methoxymethoxy)-3-methylphenyl]piperazin-1-yl]methanone
CID 171513490
(2S)-2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]propan-1-one
CID 119307814
4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one
CID 25269089

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone (CID 133469270) is (2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone is Cc1cnc(C)c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
The InChIKey is NLHLEZLAOHWYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c1-11-10-20-12(2)16(21-11)22-5-7-23(8-6-22)17(24)14-4-3-13(19)9-15(14)18/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone has a molecular weight of 348.81 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 133469270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).