methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C14H12N4O5S — CID 110204467

IUPACmethyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C14H12N4O5S/c1-23-14(20)11-7-18(6-10-12(11)16-17-13(10)19)8-2-4-9(5-3-8)24(15,21)22/h2-7H,1H3,(H,17,19)(H2,15,21,22)
InChIKeyGMHGZLLBGMXKTG-UHFFFAOYSA-N
MW348.34 g/mol
LogP0.10
Rot. Bonds3

About methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 110204467) has the molecular formula C14H12N4O5S and a molecular weight of 348.34 g/mol. Its IUPAC name is methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID110204467
Molecular FormulaC14H12N4O5S
Molecular Weight348.34 g/mol
Exact Mass348.05
IUPAC Namemethyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C14H12N4O5S/c1-23-14(20)11-7-18(6-10-12(11)16-17-13(10)19)8-2-4-9(5-3-8)24(15,21)22/h2-7H,1H3,(H,17,19)(H2,15,21,22)
InChIKeyGMHGZLLBGMXKTG-UHFFFAOYSA-N
XLogP0.10
TPSA137.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205409
methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204995
methyl 5-[4-(azepan-1-yl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204105
methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 91822809
methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205394
methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432383
2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid
CID 110204797
methyl 5-[2-(benzenesulfonyl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240786
methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432274
methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205742
methyl 5-(4-hydroxybutanoylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432517
methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204325

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 110204467) is methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is GMHGZLLBGMXKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5S/c1-23-14(20)11-7-18(6-10-12(11)16-17-13(10)19)8-2-4-9(5-3-8)24(15,21)22/h2-7H,1H3,(H,17,19)(H2,15,21,22).
What are the key properties of methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 348.34 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 110204467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).