ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate

C16H15N3O3 — CID 135650095

IUPACethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C16H15N3O3/c1-3-22-16(21)12-9-13(20)17-15-14(12)10(2)18-19(15)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,17,20)
InChIKeyAAUCFVDRYRWEDA-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.20
Rot. Bonds3

About ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 135650095) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID135650095
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Nameethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C16H15N3O3/c1-3-22-16(21)12-9-13(20)17-15-14(12)10(2)18-19(15)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,17,20)
InChIKeyAAUCFVDRYRWEDA-UHFFFAOYSA-N
XLogP2.20
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate (CID 135650095) is ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2-c1ccccc1.
What is the InChIKey of ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is AAUCFVDRYRWEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-22-16(21)12-9-13(20)17-15-14(12)10(2)18-19(15)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,17,20).
What are the key properties of ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 135650095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).