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

C17H17N3O3 — CID 135650092

IUPACethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2Cc1ccccc1
InChIInChI=1S/C17H17N3O3/c1-3-23-17(22)13-9-14(21)18-16-15(13)11(2)19-20(16)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,18,21)
InChIKeyGXRXZOGXARNNCU-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.26
Rot. Bonds4

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

ethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 135650092) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID135650092
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Nameethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2Cc1ccccc1
InChIInChI=1S/C17H17N3O3/c1-3-23-17(22)13-9-14(21)18-16-15(13)11(2)19-20(16)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,18,21)
InChIKeyGXRXZOGXARNNCU-UHFFFAOYSA-N
XLogP2.26
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate (CID 135650092) is ethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2Cc1ccccc1.
What is the InChIKey of ethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is GXRXZOGXARNNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-23-17(22)13-9-14(21)18-16-15(13)11(2)19-20(16)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,18,21).
What are the key properties of ethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 135650092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).