8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline

C23H25N7O2S — CID 122345055

IUPAC8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline
SMILESCc1nc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc(-n2cnc(C)c2C)n1
InChIInChI=1S/C23H25N7O2S/c1-16-17(2)30(15-25-16)22-14-21(26-18(3)27-22)28-10-12-29(13-11-28)33(31,32)20-8-4-6-19-7-5-9-24-23(19)20/h4-9,14-15H,10-13H2,1-3H3
InChIKeyWNANQVUVTMWRMT-UHFFFAOYSA-N
MW463.57 g/mol
LogP2.65
Rot. Bonds4

About 8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline

8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline (PubChem CID 122345055) has the molecular formula C23H25N7O2S and a molecular weight of 463.57 g/mol. Its IUPAC name is 8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline
PubChem CID122345055
Molecular FormulaC23H25N7O2S
Molecular Weight463.57 g/mol
Exact Mass463.18
IUPAC Name8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline
SMILESCc1nc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc(-n2cnc(C)c2C)n1
InChIInChI=1S/C23H25N7O2S/c1-16-17(2)30(15-25-16)22-14-21(26-18(3)27-22)28-10-12-29(13-11-28)33(31,32)20-8-4-6-19-7-5-9-24-23(19)20/h4-9,14-15H,10-13H2,1-3H3
InChIKeyWNANQVUVTMWRMT-UHFFFAOYSA-N
XLogP2.65
TPSA97.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4,5-dimethylimidazol-1-yl)-2-methyl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 122345265
4-(4,5-dimethylimidazol-1-yl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 70704064
4-(4,5-dimethylimidazol-1-yl)-2-methyl-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 122345039
4-(4,5-dimethylimidazol-1-yl)-6-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122345580
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidine
CID 122345266
4-(4,5-dimethylimidazol-1-yl)-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345028
4-(4,5-dimethylimidazol-1-yl)-6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345271
4-(4,5-dimethylimidazol-1-yl)-6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345269
4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidine
CID 122345029
4-(4,5-dimethylimidazol-1-yl)-6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345227
4-[4-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 122345276

Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline (CID 122345055) is 8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline is Cc1nc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc(-n2cnc(C)c2C)n1.
What is the InChIKey of 8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline?
The InChIKey is WNANQVUVTMWRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2S/c1-16-17(2)30(15-25-16)22-14-21(26-18(3)27-22)28-10-12-29(13-11-28)33(31,32)20-8-4-6-19-7-5-9-24-23(19)20/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline?
8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline has a molecular weight of 463.57 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 122345055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).