7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid

C23H21N7O2S — CID 19802500

About 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid

7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 19802500) has the molecular formula C23H21N7O2S and a molecular weight of 459.54 g/mol. Its IUPAC name is 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
• PubChem CID: 19802500
• Molecular Formula: C23H21N7O2S
• Molecular Weight: 459.54 g/mol
• Exact Mass: 459.15
• IUPAC Name: 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
• SMILES: CCCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccc(-c2ccsc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C23H21N7O2S/c1-3-4-18-25-19-13(2)11-17(23(31)32)24-22(19)30(18)12-14-5-7-15(8-6-14)16-9-10-33-20(16)21-26-28-29-27-21/h5-11H,3-4,12H2,1-2H3,(H,31,32)(H,26,27,28,29)
• InChIKey: WRZINZQUDSNEKA-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 122.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.54
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?

The IUPAC name of 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid (CID 19802500) is 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid.

What is the SMILES notation for 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?

The canonical SMILES for 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid is CCCc1nc2c(C)cc(C(=O)O)nc2n1Cc1ccc(-c2ccsc2-c2nn[nH]n2)cc1.

What is the InChIKey of 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?

The InChIKey is WRZINZQUDSNEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2S/c1-3-4-18-25-19-13(2)11-17(23(31)32)24-22(19)30(18)12-14-5-7-15(8-6-14)16-9-10-33-20(16)21-26-28-29-27-21/h5-11H,3-4,12H2,1-2H3,(H,31,32)(H,26,27,28,29).

What are the key properties of 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid?

7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 459.54 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 19802500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).