ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate

C19H21N3O3 — CID 135515084

IUPACethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate
SMILESCCOC(=O)CCc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C19H21N3O3/c1-4-25-16(23)11-10-15-12(2)17-13(3)21-22(18(17)20-19(15)24)14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyHEBNNXNIZHNDRP-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.83
Rot. Bonds5

About ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate

ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate (PubChem CID 135515084) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate
PubChem CID135515084
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Nameethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate
SMILESCCOC(=O)CCc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C19H21N3O3/c1-4-25-16(23)11-10-15-12(2)17-13(3)21-22(18(17)20-19(15)24)14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyHEBNNXNIZHNDRP-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 ≤ 500339.40
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 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate?
The IUPAC name of ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate (CID 135515084) is ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate?
The canonical SMILES for ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate is CCOC(=O)CCc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O.
What is the InChIKey of ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate?
The InChIKey is HEBNNXNIZHNDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-25-16(23)11-10-15-12(2)17-13(3)21-22(18(17)20-19(15)24)14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,24).
What are the key properties of ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate?
ethyl 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate has a molecular weight of 339.40 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 3-(3,4-dimethyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoate is sourced from PubChem (CID 135515084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).