methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate

C24H18ClN7O3S — CID 134314761

About methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate

methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate (PubChem CID 134314761) has the molecular formula C24H18ClN7O3S and a molecular weight of 519.97 g/mol. Its IUPAC name is methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate
• PubChem CID: 134314761
• Molecular Formula: C24H18ClN7O3S
• Molecular Weight: 519.97 g/mol
• Exact Mass: 519.09
• IUPAC Name: methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate
• SMILES: COC(=O)c1cc(-c2cnc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cs1
• InChI: InChI=1S/C24H18ClN7O3S/c1-35-24(34)21-7-14(11-36-21)18-10-26-23(28-18)20-5-3-16-6-13(8-22(33)32(16)20)17-9-15(25)2-4-19(17)31-12-27-29-30-31/h2,4,6-12,20H,3,5H2,1H3,(H,26,28)
• InChIKey: QUYMUPIVQIHGBM-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 120.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.97
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate (CID 134314761) is methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate.

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

The canonical SMILES for methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate is COC(=O)c1cc(-c2cnc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cs1.

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

The InChIKey is QUYMUPIVQIHGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN7O3S/c1-35-24(34)21-7-14(11-36-21)18-10-26-23(28-18)20-5-3-16-6-13(8-22(33)32(16)20)17-9-15(25)2-4-19(17)31-12-27-29-30-31/h2,4,6-12,20H,3,5H2,1H3,(H,26,28).

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

methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate has a molecular weight of 519.97 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]thiophene-2-carboxylate is sourced from PubChem (CID 134314761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).