1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one

C22H26Cl2N6O2 — CID 68937556

IUPAC1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one
SMILESCOc1cc(N2CCN(C(=O)C(C)n3nc(-n4ccnc4C)c(Cl)c3C)CC2)ccc1Cl
InChIInChI=1S/C22H26Cl2N6O2/c1-14-20(24)21(29-8-7-25-16(29)3)26-30(14)15(2)22(31)28-11-9-27(10-12-28)17-5-6-18(23)19(13-17)32-4/h5-8,13,15H,9-12H2,1-4H3
InChIKeyZYGHBRIGQGVMSA-UHFFFAOYSA-N
MW477.40 g/mol
LogP3.91
Rot. Bonds5

About 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one

1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one (PubChem CID 68937556) has the molecular formula C22H26Cl2N6O2 and a molecular weight of 477.40 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one
PubChem CID68937556
Molecular FormulaC22H26Cl2N6O2
Molecular Weight477.40 g/mol
Exact Mass476.15
IUPAC Name1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one
SMILESCOc1cc(N2CCN(C(=O)C(C)n3nc(-n4ccnc4C)c(Cl)c3C)CC2)ccc1Cl
InChIInChI=1S/C22H26Cl2N6O2/c1-14-20(24)21(29-8-7-25-16(29)3)26-30(14)15(2)22(31)28-11-9-27(10-12-28)17-5-6-18(23)19(13-17)32-4/h5-8,13,15H,9-12H2,1-4H3
InChIKeyZYGHBRIGQGVMSA-UHFFFAOYSA-N
XLogP3.91
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one with MolForge

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Related Compounds

Ccx-354
CID 135565361
US9981950, Example 97
CID 118870093
US9981950, Example 93
CID 118870103
US9981950, Example 95
CID 118870141
US9981950, Example 99
CID 118870165
US9981950, Example 96
CID 118870179
(S)-3-(2-(((S)-1-(1-(4-chloro-3-methoxyphenyl)-1H-imidazol-4-yl)ethyl)amino)pyrimidine-4-yl)-4-isopropyl-1-methylimidazolidine-2-one
CID 130469698
US20250388602, Example 29
CID 169106127
2-[[1-(4-Chloro-3-methoxyphenyl)triazol-4-yl]methoxy]pyrimidine
CID 130311673
1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)ethanone
CID 11443285
1-[4-(4-Chloro-2-fluoro-5-methoxyphenyl)-2-(S)-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridine-1-ylethanone
CID 11984566
1-[4-(4-Chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
CID 16005364

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one (CID 68937556) is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one is COc1cc(N2CCN(C(=O)C(C)n3nc(-n4ccnc4C)c(Cl)c3C)CC2)ccc1Cl.
What is the InChIKey of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one?
The InChIKey is ZYGHBRIGQGVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N6O2/c1-14-20(24)21(29-8-7-25-16(29)3)26-30(14)15(2)22(31)28-11-9-27(10-12-28)17-5-6-18(23)19(13-17)32-4/h5-8,13,15H,9-12H2,1-4H3.
What are the key properties of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one?
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one has a molecular weight of 477.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]propan-1-one is sourced from PubChem (CID 68937556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).