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

C26H20ClFN8O3 — CID 118106292

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

[4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-methylcarbamic acid (PubChem CID 118106292) has the molecular formula C26H20ClFN8O3 and a molecular weight of 546.95 g/mol. Its IUPAC name is [4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-methylcarbamic acid.

Molecular Properties

• Compound Name: [4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-methylcarbamic acid
• PubChem CID: 118106292
• Molecular Formula: C26H20ClFN8O3
• Molecular Weight: 546.95 g/mol
• Exact Mass: 546.13
• IUPAC Name: [4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-methylcarbamic acid
• SMILES: CN(C(=O)O)c1ccc(-c2cnc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1
• InChI: InChI=1S/C26H20ClFN8O3/c1-34(26(38)39)16-3-5-18(20(28)11-16)21-12-29-25(31-21)23-7-4-17-8-14(9-24(37)36(17)23)19-10-15(27)2-6-22(19)35-13-30-32-33-35/h2-3,5-6,8-13,23H,4,7H2,1H3,(H,29,31)(H,38,39)
• InChIKey: QATUTVGDXLBRRR-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 134.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.95
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-methylcarbamic acid (CID 118106292) is [4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-methylcarbamic acid.

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

The canonical SMILES for [4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-methylcarbamic acid is CN(C(=O)O)c1ccc(-c2cnc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1.

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

The InChIKey is QATUTVGDXLBRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN8O3/c1-34(26(38)39)16-3-5-18(20(28)11-16)21-12-29-25(31-21)23-7-4-17-8-14(9-24(37)36(17)23)19-10-15(27)2-6-22(19)35-13-30-32-33-35/h2-3,5-6,8-13,23H,4,7H2,1H3,(H,29,31)(H,38,39).

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

[4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-methylcarbamic acid has a molecular weight of 546.95 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-3-fluorophenyl]-methylcarbamic acid is sourced from PubChem (CID 118106292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).