[4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid

C26H19Cl2FN8O3 — CID 118106125

About [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid

[4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid (PubChem CID 118106125) has the molecular formula C26H19Cl2FN8O3 and a molecular weight of 581.40 g/mol. Its IUPAC name is [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid.

Molecular Properties

• Compound Name: [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid
• PubChem CID: 118106125
• Molecular Formula: C26H19Cl2FN8O3
• Molecular Weight: 581.40 g/mol
• Exact Mass: 580.09
• IUPAC Name: [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid
• SMILES: CN(C(=O)O)c1ccc(-c2nc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)c(F)c1
• InChI: InChI=1S/C26H19Cl2FN8O3/c1-35(26(39)40)15-3-5-17(19(29)11-15)23-24(28)32-25(31-23)21-7-4-16-8-13(9-22(38)37(16)21)18-10-14(27)2-6-20(18)36-12-30-33-34-36/h2-3,5-6,8-12,21H,4,7H2,1H3,(H,31,32)(H,39,40)
• InChIKey: CTJXIYMLEBQYDM-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 134.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.40
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid?

The IUPAC name of [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid (CID 118106125) is [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid.

What is the SMILES notation for [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid?

The canonical SMILES for [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid is CN(C(=O)O)c1ccc(-c2nc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)c(F)c1.

What is the InChIKey of [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid?

The InChIKey is CTJXIYMLEBQYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2FN8O3/c1-35(26(39)40)15-3-5-17(19(29)11-15)23-24(28)32-25(31-23)21-7-4-16-8-13(9-22(38)37(16)21)18-10-14(27)2-6-20(18)36-12-30-33-34-36/h2-3,5-6,8-12,21H,4,7H2,1H3,(H,31,32)(H,39,40).

What are the key properties of [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid?

[4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid has a molecular weight of 581.40 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-chloro-2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-3-fluorophenyl]-methylcarbamic acid is sourced from PubChem (CID 118106125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).