2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid

C17H14N4O6 — CID 110204797

About 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid

2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid (PubChem CID 110204797) has the molecular formula C17H14N4O6 and a molecular weight of 370.32 g/mol. Its IUPAC name is 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid
• PubChem CID: 110204797
• Molecular Formula: C17H14N4O6
• Molecular Weight: 370.32 g/mol
• Exact Mass: 370.09
• IUPAC Name: 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid
• SMILES: COC(=O)c1cn(-c2cccc(C(=O)NCC(=O)O)c2)cc2c(=O)[nH]nc1-2
• InChI: InChI=1S/C17H14N4O6/c1-27-17(26)12-8-21(7-11-14(12)19-20-16(11)25)10-4-2-3-9(5-10)15(24)18-6-13(22)23/h2-5,7-8H,6H2,1H3,(H,18,24)(H,20,25)(H,22,23)
• InChIKey: YIOOPSHDKFWXPM-UHFFFAOYSA-N
• XLogP: 0.27
• TPSA: 143.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.32
LogP ≤ 5	0.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid?

The IUPAC name of 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid (CID 110204797) is 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid.

What is the SMILES notation for 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid?

The canonical SMILES for 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid is COC(=O)c1cn(-c2cccc(C(=O)NCC(=O)O)c2)cc2c(=O)[nH]nc1-2.

What is the InChIKey of 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid?

The InChIKey is YIOOPSHDKFWXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O6/c1-27-17(26)12-8-21(7-11-14(12)19-20-16(11)25)10-4-2-3-9(5-10)15(24)18-6-13(22)23/h2-5,7-8H,6H2,1H3,(H,18,24)(H,20,25)(H,22,23).

What are the key properties of 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid?

2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid has a molecular weight of 370.32 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 110204797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).