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

C15H12N4O5 — CID 125432274

IUPACmethyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(NC(=O)c2ccc(O)cc2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C15H12N4O5/c1-24-15(23)11-7-19(6-10-12(11)16-17-14(10)22)18-13(21)8-2-4-9(20)5-3-8/h2-7,20H,1H3,(H,17,22)(H,18,21)
InChIKeyGWOLEOMXSBKOJW-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.55
Rot. Bonds3

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

methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 125432274) has the molecular formula C15H12N4O5 and a molecular weight of 328.28 g/mol. Its IUPAC name is methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID125432274
Molecular FormulaC15H12N4O5
Molecular Weight328.28 g/mol
Exact Mass328.08
IUPAC Namemethyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(NC(=O)c2ccc(O)cc2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C15H12N4O5/c1-24-15(23)11-7-19(6-10-12(11)16-17-14(10)22)18-13(21)8-2-4-9(20)5-3-8/h2-7,20H,1H3,(H,17,22)(H,18,21)
InChIKeyGWOLEOMXSBKOJW-UHFFFAOYSA-N
XLogP0.55
TPSA126.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 125432274) is methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(NC(=O)c2ccc(O)cc2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is GWOLEOMXSBKOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5/c1-24-15(23)11-7-19(6-10-12(11)16-17-14(10)22)18-13(21)8-2-4-9(20)5-3-8/h2-7,20H,1H3,(H,17,22)(H,18,21).
What are the key properties of methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 328.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 125432274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).