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

C26H29N7O3 — CID 67794662

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

2-ethyl-3-[1-[2-oxo-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]butyl]cyclopropane-1-carboxylic acid (PubChem CID 67794662) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-ethyl-3-[1-[2-oxo-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]butyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-ethyl-3-[1-[2-oxo-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]butyl]cyclopropane-1-carboxylic acid
• PubChem CID: 67794662
• Molecular Formula: C26H29N7O3
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.23
• IUPAC Name: 2-ethyl-3-[1-[2-oxo-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]butyl]cyclopropane-1-carboxylic acid
• SMILES: CCCC(C1C(CC)C1C(=O)O)n1ccn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cn2)c1=O
• InChI: InChI=1S/C26H29N7O3/c1-3-7-21(22-18(4-2)23(22)25(34)35)33-13-12-32(26(33)36)15-17-11-10-16(14-27-17)19-8-5-6-9-20(19)24-28-30-31-29-24/h5-6,8-14,18,21-23H,3-4,7,15H2,1-2H3,(H,34,35)(H,28,29,30,31)
• InChIKey: LIUJGEHYDRXVID-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 131.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-ethyl-3-[1-[2-oxo-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]butyl]cyclopropane-1-carboxylic acid (CID 67794662) is 2-ethyl-3-[1-[2-oxo-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]butyl]cyclopropane-1-carboxylic acid.

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

The canonical SMILES for 2-ethyl-3-[1-[2-oxo-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]butyl]cyclopropane-1-carboxylic acid is CCCC(C1C(CC)C1C(=O)O)n1ccn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cn2)c1=O.

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

The InChIKey is LIUJGEHYDRXVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-3-7-21(22-18(4-2)23(22)25(34)35)33-13-12-32(26(33)36)15-17-11-10-16(14-27-17)19-8-5-6-9-20(19)24-28-30-31-29-24/h5-6,8-14,18,21-23H,3-4,7,15H2,1-2H3,(H,34,35)(H,28,29,30,31).

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

2-ethyl-3-[1-[2-oxo-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]butyl]cyclopropane-1-carboxylic acid has a molecular weight of 487.56 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-3-[1-[2-oxo-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]butyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67794662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).