3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid

C19H20N4O4S — CID 56876727

IUPAC3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid
SMILESCN1CCN(S(=O)(=O)c2cc(C(=O)O)cc(-c3cccc4ccnn34)c2)CC1
InChIInChI=1S/C19H20N4O4S/c1-21-7-9-22(10-8-21)28(26,27)17-12-14(11-15(13-17)19(24)25)18-4-2-3-16-5-6-20-23(16)18/h2-6,11-13H,7-10H2,1H3,(H,24,25)
InChIKeyZNLJYTNKRVACNR-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.64
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid

3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid (PubChem CID 56876727) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid
PubChem CID56876727
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid
SMILESCN1CCN(S(=O)(=O)c2cc(C(=O)O)cc(-c3cccc4ccnn34)c2)CC1
InChIInChI=1S/C19H20N4O4S/c1-21-7-9-22(10-8-21)28(26,27)17-12-14(11-15(13-17)19(24)25)18-4-2-3-16-5-6-20-23(16)18/h2-6,11-13H,7-10H2,1H3,(H,24,25)
InChIKeyZNLJYTNKRVACNR-UHFFFAOYSA-N
XLogP1.64
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid
CID 56875686
3-(4-methylpiperazin-1-yl)sulfonyl-5-pyridin-3-ylbenzoic acid
CID 56861496
3-(6-methoxy-3-pyridinyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 56877298
3-(1H-indol-6-yl)-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 56880235
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide
CID 26144756
N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
CID 50875377
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 16783100
(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110354731
3-(3,5-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzoic acid
CID 56865018
3-(furan-3-yl)-5-thiomorpholin-4-ylsulfonylbenzoic acid
CID 56868736
N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55549426

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid (CID 56876727) is 3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid is CN1CCN(S(=O)(=O)c2cc(C(=O)O)cc(-c3cccc4ccnn34)c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid?
The InChIKey is ZNLJYTNKRVACNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-21-7-9-22(10-8-21)28(26,27)17-12-14(11-15(13-17)19(24)25)18-4-2-3-16-5-6-20-23(16)18/h2-6,11-13H,7-10H2,1H3,(H,24,25).
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid?
3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid has a molecular weight of 400.46 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid is sourced from PubChem (CID 56876727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).