(2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid

C19H20N4O4 — CID 119365882

About (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119365882) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 119365882
• Molecular Formula: C19H20N4O4
• Molecular Weight: 368.39 g/mol
• Exact Mass: 368.15
• IUPAC Name: (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
• SMILES: CC(C)n1ncc2c(C(=O)N3CCC[C@H]3C(=O)O)cc(-c3ccco3)nc21
• InChI: InChI=1S/C19H20N4O4/c1-11(2)23-17-13(10-20-23)12(9-14(21-17)16-6-4-8-27-16)18(24)22-7-3-5-15(22)19(25)26/h4,6,8-11,15H,3,5,7H2,1-2H3,(H,25,26)/t15-/m0/s1
• InChIKey: HESFSZNHIMWXJI-HNNXBMFYSA-N
• XLogP: 2.96
• TPSA: 101.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.39
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid (CID 119365882) is (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid is CC(C)n1ncc2c(C(=O)N3CCC[C@H]3C(=O)O)cc(-c3ccco3)nc21.

What is the InChIKey of (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid?

The InChIKey is HESFSZNHIMWXJI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11(2)23-17-13(10-20-23)12(9-14(21-17)16-6-4-8-27-16)18(24)22-7-3-5-15(22)19(25)26/h4,6,8-11,15H,3,5,7H2,1-2H3,(H,25,26)/t15-/m0/s1.

What are the key properties of (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid?

(2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).