ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate

C27H23N3O4 — CID 118423479

About ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 118423479) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 118423479
• Molecular Formula: C27H23N3O4
• Molecular Weight: 453.50 g/mol
• Exact Mass: 453.17
• IUPAC Name: ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1
• InChI: InChI=1S/C27H23N3O4/c1-3-32-27(31)22-16-23(24-10-7-15-33-24)28-26-25(22)18(2)29-30(26)17-19-11-13-21(14-12-19)34-20-8-5-4-6-9-20/h4-16H,3,17H2,1-2H3
• InChIKey: IOLGDZIQTAXNRN-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 79.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.50
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate (CID 118423479) is ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2Cc1ccc(Oc2ccccc2)cc1.

What is the InChIKey of ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is IOLGDZIQTAXNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-3-32-27(31)22-16-23(24-10-7-15-33-24)28-26-25(22)18(2)29-30(26)17-19-11-13-21(14-12-19)34-20-8-5-4-6-9-20/h4-16H,3,17H2,1-2H3.

What are the key properties of ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate?

ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 453.50 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 118423479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).