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

C19H19N3O3 — CID 135650098

IUPACethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2c1c(C1CC1)nn2Cc1ccccc1
InChIInChI=1S/C19H19N3O3/c1-2-25-19(24)14-10-15(23)20-18-16(14)17(13-8-9-13)21-22(18)11-12-6-4-3-5-7-12/h3-7,10,13H,2,8-9,11H2,1H3,(H,20,23)
InChIKeyBINXYRNWCPKJRC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.83
Rot. Bonds5

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

ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 135650098) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID135650098
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2c1c(C1CC1)nn2Cc1ccccc1
InChIInChI=1S/C19H19N3O3/c1-2-25-19(24)14-10-15(23)20-18-16(14)17(13-8-9-13)21-22(18)11-12-6-4-3-5-7-12/h3-7,10,13H,2,8-9,11H2,1H3,(H,20,23)
InChIKeyBINXYRNWCPKJRC-UHFFFAOYSA-N
XLogP2.83
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.83
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-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate (CID 135650098) is ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(=O)[nH]c2c1c(C1CC1)nn2Cc1ccccc1.
What is the InChIKey of ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is BINXYRNWCPKJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-25-19(24)14-10-15(23)20-18-16(14)17(13-8-9-13)21-22(18)11-12-6-4-3-5-7-12/h3-7,10,13H,2,8-9,11H2,1H3,(H,20,23).
What are the key properties of ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3-cyclopropyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 135650098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).