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

C16H14N4O4 — CID 110204995

IUPACmethyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(NC(C)=O)cc2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C16H14N4O4/c1-9(21)17-10-3-5-11(6-4-10)20-7-12-14(18-19-15(12)22)13(8-20)16(23)24-2/h3-8H,1-2H3,(H,17,21)(H,19,22)
InChIKeyHVLJMVUENPDJJD-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.41
Rot. Bonds3

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

methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 110204995) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID110204995
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Namemethyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(NC(C)=O)cc2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C16H14N4O4/c1-9(21)17-10-3-5-11(6-4-10)20-7-12-14(18-19-15(12)22)13(8-20)16(23)24-2/h3-8H,1-2H3,(H,17,21)(H,19,22)
InChIKeyHVLJMVUENPDJJD-UHFFFAOYSA-N
XLogP1.41
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205409
methyl 3-oxo-5-(4-sulfamoylphenyl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204467
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-(3H-benzimidazol-5-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204259
methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205394
methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495921
methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205742
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 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204325
methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432274

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 110204995) is methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2ccc(NC(C)=O)cc2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is HVLJMVUENPDJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-9(21)17-10-3-5-11(6-4-10)20-7-12-14(18-19-15(12)22)13(8-20)16(23)24-2/h3-8H,1-2H3,(H,17,21)(H,19,22).
What are the key properties of methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 326.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 110204995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).