2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid

C16H15N5O7S — CID 67086636

IUPAC2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(-c3ccc(S(N)(=O)=O)cc3)nn21
InChIInChI=1S/C16H15N5O7S/c1-20-16(26)13(15(25)18-7-12(22)23)14(24)11-6-10(19-21(11)20)8-2-4-9(5-3-8)29(17,27)28/h2-6,24H,7H2,1H3,(H,18,25)(H,22,23)(H2,17,27,28)
InChIKeyZOIBRZUFLWJCBC-UHFFFAOYSA-N
MW421.39 g/mol
LogP-1.13
Rot. Bonds5

About 2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid

2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid (PubChem CID 67086636) has the molecular formula C16H15N5O7S and a molecular weight of 421.39 g/mol. Its IUPAC name is 2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid
PubChem CID67086636
Molecular FormulaC16H15N5O7S
Molecular Weight421.39 g/mol
Exact Mass421.07
IUPAC Name2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(-c3ccc(S(N)(=O)=O)cc3)nn21
InChIInChI=1S/C16H15N5O7S/c1-20-16(26)13(15(25)18-7-12(22)23)14(24)11-6-10(19-21(11)20)8-2-4-9(5-3-8)29(17,27)28/h2-6,24H,7H2,1H3,(H,18,25)(H,22,23)(H2,17,27,28)
InChIKeyZOIBRZUFLWJCBC-UHFFFAOYSA-N
XLogP-1.13
TPSA186.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid (CID 67086636) is 2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(-c3ccc(S(N)(=O)=O)cc3)nn21.
What is the InChIKey of 2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid?
The InChIKey is ZOIBRZUFLWJCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O7S/c1-20-16(26)13(15(25)18-7-12(22)23)14(24)11-6-10(19-21(11)20)8-2-4-9(5-3-8)29(17,27)28/h2-6,24H,7H2,1H3,(H,18,25)(H,22,23)(H2,17,27,28).
What are the key properties of 2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid has a molecular weight of 421.39 g/mol, XLogP of -1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 67086636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).