[6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid

C26H24ClN9O4 — CID 118106722

About [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid

[6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid (PubChem CID 118106722) has the molecular formula C26H24ClN9O4 and a molecular weight of 561.99 g/mol. Its IUPAC name is [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid.

Molecular Properties

• Compound Name: [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid
• PubChem CID: 118106722
• Molecular Formula: C26H24ClN9O4
• Molecular Weight: 561.99 g/mol
• Exact Mass: 561.16
• IUPAC Name: [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid
• SMILES: COCCN(C(=O)O)c1ccc(-c2cnc(Cn3c(C)cc(-c4cc(Cl)ccc4-n4cnnn4)cc3=O)[nH]2)nc1
• InChI: InChI=1S/C26H24ClN9O4/c1-16-9-17(20-11-18(27)3-6-23(20)36-15-30-32-33-36)10-25(37)35(16)14-24-29-13-22(31-24)21-5-4-19(12-28-21)34(26(38)39)7-8-40-2/h3-6,9-13,15H,7-8,14H2,1-2H3,(H,29,31)(H,38,39)
• InChIKey: RICPYLDGYODCEO-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 156.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.99
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid?

The IUPAC name of [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid (CID 118106722) is [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid.

What is the SMILES notation for [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid?

The canonical SMILES for [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid is COCCN(C(=O)O)c1ccc(-c2cnc(Cn3c(C)cc(-c4cc(Cl)ccc4-n4cnnn4)cc3=O)[nH]2)nc1.

What is the InChIKey of [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid?

The InChIKey is RICPYLDGYODCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN9O4/c1-16-9-17(20-11-18(27)3-6-23(20)36-15-30-32-33-36)10-25(37)35(16)14-24-29-13-22(31-24)21-5-4-19(12-28-21)34(26(38)39)7-8-40-2/h3-6,9-13,15H,7-8,14H2,1-2H3,(H,29,31)(H,38,39).

What are the key properties of [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid?

[6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid has a molecular weight of 561.99 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-[[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-6-oxo-1-pyridinyl]methyl]-1H-imidazol-5-yl]-3-pyridinyl]-(2-methoxyethyl)carbamic acid is sourced from PubChem (CID 118106722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).