ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C16H16N4O2 — CID 2997652

IUPACethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2C
InChIInChI=1S/C16H16N4O2/c1-4-22-16(21)12-9-13(11-5-7-17-8-6-11)18-15-14(12)10(2)19-20(15)3/h5-9H,4H2,1-3H3
InChIKeyUTRZLPJCDLJLJQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.52
Rot. Bonds3

About ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 2997652) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID2997652
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Nameethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2C
InChIInChI=1S/C16H16N4O2/c1-4-22-16(21)12-9-13(11-5-7-17-8-6-11)18-15-14(12)10(2)19-20(15)3/h5-9H,4H2,1-3H3
InChIKeyUTRZLPJCDLJLJQ-UHFFFAOYSA-N
XLogP2.52
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 2997652) is ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2C.
What is the InChIKey of ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is UTRZLPJCDLJLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-4-22-16(21)12-9-13(11-5-7-17-8-6-11)18-15-14(12)10(2)19-20(15)3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 2997652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).