ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C21H18N4O2 — CID 5114916

IUPACethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C21H18N4O2/c1-3-27-21(26)16-13-17(15-9-5-4-6-10-15)23-20-19(16)14(2)24-25(20)18-11-7-8-12-22-18/h4-13H,3H2,1-2H3
InChIKeyHMCNYMDKAHMRIU-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.97
Rot. Bonds4

About ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 5114916) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID5114916
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Nameethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C21H18N4O2/c1-3-27-21(26)16-13-17(15-9-5-4-6-10-15)23-20-19(16)14(2)24-25(20)18-11-7-8-12-22-18/h4-13H,3H2,1-2H3
InChIKeyHMCNYMDKAHMRIU-UHFFFAOYSA-N
XLogP3.97
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 5114916) is ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccn1.
What is the InChIKey of ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is HMCNYMDKAHMRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-3-27-21(26)16-13-17(15-9-5-4-6-10-15)23-20-19(16)14(2)24-25(20)18-11-7-8-12-22-18/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 5114916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).