5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C18H17N5O4 — CID 72843151

About 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 72843151) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 72843151
• Molecular Formula: C18H17N5O4
• Molecular Weight: 367.37 g/mol
• Exact Mass: 367.13
• IUPAC Name: 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: Cc1nn(CC(=O)N2Cc3[nH]cnc3CC2C(=O)O)c(=O)c2ccccc12
• InChI: InChI=1S/C18H17N5O4/c1-10-11-4-2-3-5-12(11)17(25)23(21-10)8-16(24)22-7-14-13(19-9-20-14)6-15(22)18(26)27/h2-5,9,15H,6-8H2,1H3,(H,19,20)(H,26,27)
• InChIKey: GQDIEOJQLDQDSY-UHFFFAOYSA-N
• XLogP: 0.47
• TPSA: 121.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.37
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 72843151) is 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is Cc1nn(CC(=O)N2Cc3[nH]cnc3CC2C(=O)O)c(=O)c2ccccc12.

What is the InChIKey of 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is GQDIEOJQLDQDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-10-11-4-2-3-5-12(11)17(25)23(21-10)8-16(24)22-7-14-13(19-9-20-14)6-15(22)18(26)27/h2-5,9,15H,6-8H2,1H3,(H,19,20)(H,26,27).

What are the key properties of 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 367.37 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 72843151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).