6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid

C15H19N5O4S — CID 122054419

IUPAC6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nc(S(=O)(=O)N2CCN(c3cccc(C(=O)O)n3)CC2)cn1C
InChIInChI=1S/C15H19N5O4S/c1-11-16-14(10-18(11)2)25(23,24)20-8-6-19(7-9-20)13-5-3-4-12(17-13)15(21)22/h3-5,10H,6-9H2,1-2H3,(H,21,22)
InChIKeyAWOUTIYJQYFRLP-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.33
Rot. Bonds4

About 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid

6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122054419) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122054419
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nc(S(=O)(=O)N2CCN(c3cccc(C(=O)O)n3)CC2)cn1C
InChIInChI=1S/C15H19N5O4S/c1-11-16-14(10-18(11)2)25(23,24)20-8-6-19(7-9-20)13-5-3-4-12(17-13)15(21)22/h3-5,10H,6-9H2,1-2H3,(H,21,22)
InChIKeyAWOUTIYJQYFRLP-UHFFFAOYSA-N
XLogP0.33
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336258
6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122047573
4-benzylsulfonyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 121022794
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propanoic acid
CID 62311267
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol
CID 97239217
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340437
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339904
(2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 120873149
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350092
1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 133282675
1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105659

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid (CID 122054419) is 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid is Cc1nc(S(=O)(=O)N2CCN(c3cccc(C(=O)O)n3)CC2)cn1C.
What is the InChIKey of 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is AWOUTIYJQYFRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-11-16-14(10-18(11)2)25(23,24)20-8-6-19(7-9-20)13-5-3-4-12(17-13)15(21)22/h3-5,10H,6-9H2,1-2H3,(H,21,22).
What are the key properties of 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 365.42 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).