3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid

C18H17N3O5S — CID 56875686

IUPAC3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid
SMILESO=C(O)c1cc(-c2cccc3ccnn23)cc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H17N3O5S/c22-18(23)14-10-13(17-3-1-2-15-4-5-19-21(15)17)11-16(12-14)27(24,25)20-6-8-26-9-7-20/h1-5,10-12H,6-9H2,(H,22,23)
InChIKeyYXLFGVSDWUYIFE-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.72
Rot. Bonds4

About 3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid

3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid (PubChem CID 56875686) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid
PubChem CID56875686
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid
SMILESO=C(O)c1cc(-c2cccc3ccnn23)cc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H17N3O5S/c22-18(23)14-10-13(17-3-1-2-15-4-5-19-21(15)17)11-16(12-14)27(24,25)20-6-8-26-9-7-20/h1-5,10-12H,6-9H2,(H,22,23)
InChIKeyYXLFGVSDWUYIFE-UHFFFAOYSA-N
XLogP1.72
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylpiperazin-1-yl)sulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid
CID 56876727
3-(3,4-difluorophenyl)-5-morpholin-4-ylsulfonylbenzoic acid
CID 56865955
3-(3,5-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzoic acid
CID 56865018
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
3-(4-methylimidazol-1-yl)-5-morpholin-4-ylsulfonylbenzoic acid
CID 56901617
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid
CID 56873030
3-(4-methylpiperazin-1-yl)sulfonyl-5-pyridin-3-ylbenzoic acid
CID 56861496
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849692
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 16783100
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid?
The IUPAC name of 3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid (CID 56875686) is 3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid is O=C(O)c1cc(-c2cccc3ccnn23)cc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid?
The InChIKey is YXLFGVSDWUYIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c22-18(23)14-10-13(17-3-1-2-15-4-5-19-21(15)17)11-16(12-14)27(24,25)20-6-8-26-9-7-20/h1-5,10-12H,6-9H2,(H,22,23).
What are the key properties of 3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid?
3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid has a molecular weight of 387.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid is sourced from PubChem (CID 56875686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).