ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate

C19H21N3O3 — CID 3242203

IUPACethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate
SMILESCCOC(=O)CCn1c2nc(C)cc(C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-4-25-16(23)10-11-21-18-17(13(2)12-14(3)20-18)19(24)22(21)15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3
InChIKeyJVQOZQTVULNCBU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.76
Rot. Bonds5

About ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate

ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate (PubChem CID 3242203) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate
PubChem CID3242203
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Nameethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate
SMILESCCOC(=O)CCn1c2nc(C)cc(C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-4-25-16(23)10-11-21-18-17(13(2)12-14(3)20-18)19(24)22(21)15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3
InChIKeyJVQOZQTVULNCBU-UHFFFAOYSA-N
XLogP2.76
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate?
The IUPAC name of ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate (CID 3242203) is ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate is CCOC(=O)CCn1c2nc(C)cc(C)c2c(=O)n1-c1ccccc1.
What is the InChIKey of ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate?
The InChIKey is JVQOZQTVULNCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-25-16(23)10-11-21-18-17(13(2)12-14(3)20-18)19(24)22(21)15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate?
ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate has a molecular weight of 339.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4,6-dimethyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)propanoate is sourced from PubChem (CID 3242203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).