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

C16H14N4O6 — CID 125431196

IUPACmethyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(NC(=O)c2ccc(O)c(OC)c2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C16H14N4O6/c1-25-12-5-8(3-4-11(12)21)14(22)19-20-6-9-13(17-18-15(9)23)10(7-20)16(24)26-2/h3-7,21H,1-2H3,(H,18,23)(H,19,22)
InChIKeyDCOSFQWNXVQERU-UHFFFAOYSA-N
MW358.31 g/mol
LogP0.56
Rot. Bonds4

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

methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 125431196) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID125431196
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC Namemethyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(NC(=O)c2ccc(O)c(OC)c2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C16H14N4O6/c1-25-12-5-8(3-4-11(12)21)14(22)19-20-6-9-13(17-18-15(9)23)10(7-20)16(24)26-2/h3-7,21H,1-2H3,(H,18,23)(H,19,22)
InChIKeyDCOSFQWNXVQERU-UHFFFAOYSA-N
XLogP0.56
TPSA135.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432274
methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432383
methyl 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125431835
methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204467
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-(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-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240785
methyl 5-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125123562
methyl 5-[4-(azepan-1-yl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204105
methyl 5-[(4-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239738

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 125431196) is methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(NC(=O)c2ccc(O)c(OC)c2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is DCOSFQWNXVQERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6/c1-25-12-5-8(3-4-11(12)21)14(22)19-20-6-9-13(17-18-15(9)23)10(7-20)16(24)26-2/h3-7,21H,1-2H3,(H,18,23)(H,19,22).
What are the key properties of methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 358.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-hydroxy-3-methoxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 125431196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).