(4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone

C24H23ClN6O — CID 1251688

IUPAC(4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C24H23ClN6O/c1-16-15-17(2)31(28-16)23-22(26-20-5-3-4-6-21(20)27-23)29-11-13-30(14-12-29)24(32)18-7-9-19(25)10-8-18/h3-10,15H,11-14H2,1-2H3
InChIKeyMZNJXZDQDUYAJS-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.05
Rot. Bonds3

About (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone (PubChem CID 1251688) has the molecular formula C24H23ClN6O and a molecular weight of 446.94 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone
PubChem CID1251688
Molecular FormulaC24H23ClN6O
Molecular Weight446.94 g/mol
Exact Mass446.16
IUPAC Name(4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C24H23ClN6O/c1-16-15-17(2)31(28-16)23-22(26-20-5-3-4-6-21(20)27-23)29-11-13-30(14-12-29)24(32)18-7-9-19(25)10-8-18/h3-10,15H,11-14H2,1-2H3
InChIKeyMZNJXZDQDUYAJS-UHFFFAOYSA-N
XLogP4.05
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743
(4-chlorophenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093514
[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 50946256
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 1027241
(2,4-dichlorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034163
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 26204876
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 122337492
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122338002
(3,4-difluorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122337430
(4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 4079517

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone (CID 1251688) is (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone is Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone?
The InChIKey is MZNJXZDQDUYAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O/c1-16-15-17(2)31(28-16)23-22(26-20-5-3-4-6-21(20)27-23)29-11-13-30(14-12-29)24(32)18-7-9-19(25)10-8-18/h3-10,15H,11-14H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone has a molecular weight of 446.94 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 1251688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).