5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid

C24H24ClN7O3S — CID 146247708

About 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid

5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid (PubChem CID 146247708) has the molecular formula C24H24ClN7O3S and a molecular weight of 526.02 g/mol. Its IUPAC name is 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid
• PubChem CID: 146247708
• Molecular Formula: C24H24ClN7O3S
• Molecular Weight: 526.02 g/mol
• Exact Mass: 525.13
• IUPAC Name: 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid
• SMILES: CN1CC(C2=CC(C(=O)O)CS2)NC1[C@@H]1CCc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n21
• InChI: InChI=1S/C24H24ClN7O3S/c1-30-10-18(21-7-14(11-36-21)24(34)35)27-23(30)20-5-3-16-6-13(8-22(33)32(16)20)17-9-15(25)2-4-19(17)31-12-26-28-29-31/h2,4,6-9,12,14,18,20,23,27H,3,5,10-11H2,1H3,(H,34,35)/t14?,18?,20-,23?/m0/s1
• InChIKey: WWGDDSPUDKMVHQ-MBCDWLASSA-N
• XLogP: 2.19
• TPSA: 118.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.02
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid (CID 146247708) is 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid.

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

The canonical SMILES for 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid is CN1CC(C2=CC(C(=O)O)CS2)NC1[C@@H]1CCc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n21.

What is the InChIKey of 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid?

The InChIKey is WWGDDSPUDKMVHQ-MBCDWLASSA-N. The full InChI is InChI=1S/C24H24ClN7O3S/c1-30-10-18(21-7-14(11-36-21)24(34)35)27-23(30)20-5-3-16-6-13(8-22(33)32(16)20)17-9-15(25)2-4-19(17)31-12-26-28-29-31/h2,4,6-9,12,14,18,20,23,27H,3,5,10-11H2,1H3,(H,34,35)/t14?,18?,20-,23?/m0/s1.

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

5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid has a molecular weight of 526.02 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1-methylimidazolidin-4-yl]-2,3-dihydrothiophene-3-carboxylic acid is sourced from PubChem (CID 146247708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).