2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline

C25H27ClN6 — CID 22431782

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline
SMILESCc1ccc2nc(N3CCN(c4cc(Cl)ccc4C)CC3)c(-n3nc(C)cc3C)nc2c1
InChIInChI=1S/C25H27ClN6/c1-16-5-8-21-22(13-16)28-25(32-19(4)14-18(3)29-32)24(27-21)31-11-9-30(10-12-31)23-15-20(26)7-6-17(23)2/h5-8,13-15H,9-12H2,1-4H3
InChIKeyYGQHFLVEVGXACY-UHFFFAOYSA-N
MW446.99 g/mol
LogP5.03
Rot. Bonds3

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline (PubChem CID 22431782) has the molecular formula C25H27ClN6 and a molecular weight of 446.99 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline
PubChem CID22431782
Molecular FormulaC25H27ClN6
Molecular Weight446.99 g/mol
Exact Mass446.20
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline
SMILESCc1ccc2nc(N3CCN(c4cc(Cl)ccc4C)CC3)c(-n3nc(C)cc3C)nc2c1
InChIInChI=1S/C25H27ClN6/c1-16-5-8-21-22(13-16)28-25(32-19(4)14-18(3)29-32)24(27-21)31-11-9-30(10-12-31)23-15-20(26)7-6-17(23)2/h5-8,13-15H,9-12H2,1-4H3
InChIKeyYGQHFLVEVGXACY-UHFFFAOYSA-N
XLogP5.03
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.99
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline with MolForge

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Related Compounds

(4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone
CID 1251688
6-chloro-N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 22432171
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline
CID 22331907
N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide
CID 102011257
ethyl 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886321
N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 101211910
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine
CID 163352025
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine
CID 15989782
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 46339596
3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate
CID 22090511
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine
CID 22432179

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline (CID 22431782) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline is Cc1ccc2nc(N3CCN(c4cc(Cl)ccc4C)CC3)c(-n3nc(C)cc3C)nc2c1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline?
The InChIKey is YGQHFLVEVGXACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6/c1-16-5-8-21-22(13-16)28-25(32-19(4)14-18(3)29-32)24(27-21)31-11-9-30(10-12-31)23-15-20(26)7-6-17(23)2/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline has a molecular weight of 446.99 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxaline is sourced from PubChem (CID 22431782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).