4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid

C20H17FN6O2 — CID 123321161

About 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid

4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid (PubChem CID 123321161) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid
• PubChem CID: 123321161
• Molecular Formula: C20H17FN6O2
• Molecular Weight: 392.39 g/mol
• Exact Mass: 392.14
• IUPAC Name: 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid
• SMILES: CCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1C(=O)O
• InChI: InChI=1S/C20H17FN6O2/c1-2-14-15(20(28)29)17(22)25-18(24-14)16-12-7-5-9-23-19(12)27(26-16)10-11-6-3-4-8-13(11)21/h3-9H,2,10H2,1H3,(H,28,29)(H2,22,24,25)
• InChIKey: RDFDPOOFDLAFLH-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 119.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.39
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid?

The IUPAC name of 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid (CID 123321161) is 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid.

What is the SMILES notation for 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid?

The canonical SMILES for 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid is CCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1C(=O)O.

What is the InChIKey of 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid?

The InChIKey is RDFDPOOFDLAFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-2-14-15(20(28)29)17(22)25-18(24-14)16-12-7-5-9-23-19(12)27(26-16)10-11-6-3-4-8-13(11)21/h3-9H,2,10H2,1H3,(H,28,29)(H2,22,24,25).

What are the key properties of 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid?

4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid has a molecular weight of 392.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 123321161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).