5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid

C25H25N9O3 — CID 19383307

About 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid

5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19383307) has the molecular formula C25H25N9O3 and a molecular weight of 499.54 g/mol. Its IUPAC name is 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid
• PubChem CID: 19383307
• Molecular Formula: C25H25N9O3
• Molecular Weight: 499.54 g/mol
• Exact Mass: 499.21
• IUPAC Name: 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid
• SMILES: CCCCc1cn(-c2c(C(=O)O)cnn2C)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1
• InChI: InChI=1S/C25H25N9O3/c1-3-4-7-17-15-34(23-21(24(35)36)13-27-32(23)2)25(37)33(17)14-16-12-26-11-10-18(16)19-8-5-6-9-20(19)22-28-30-31-29-22/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,35,36)(H,28,29,30,31)
• InChIKey: TZOICVKUFXSFOF-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 149.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.54
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid?

The IUPAC name of 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid (CID 19383307) is 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid.

What is the SMILES notation for 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid?

The canonical SMILES for 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid is CCCCc1cn(-c2c(C(=O)O)cnn2C)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1.

What is the InChIKey of 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid?

The InChIKey is TZOICVKUFXSFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O3/c1-3-4-7-17-15-34(23-21(24(35)36)13-27-32(23)2)25(37)33(17)14-16-12-26-11-10-18(16)19-8-5-6-9-20(19)22-28-30-31-29-22/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,35,36)(H,28,29,30,31).

What are the key properties of 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid?

5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 499.54 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19383307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).