3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione

C21H20FI2N3O4S — CID 89023836

IUPAC3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione
SMILESCc1c(=O)n2c(c3c1n(-c1ccc(I)cc1F)c(=O)n3S(=O)(=O)C1(CCI)CC1)CCC2
InChIInChI=1S/C21H20FI2N3O4S/c1-12-17-18(16-3-2-10-25(16)19(12)28)27(32(30,31)21(6-7-21)8-9-23)20(29)26(17)15-5-4-13(24)11-14(15)22/h4-5,11H,2-3,6-10H2,1H3
InChIKeyPOIICXQWNAXCJD-UHFFFAOYSA-N
MW683.28 g/mol
LogP3.49
Rot. Bonds5

About 3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione

3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione (PubChem CID 89023836) has the molecular formula C21H20FI2N3O4S and a molecular weight of 683.28 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione.

Molecular Properties

Compound Name3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione
PubChem CID89023836
Molecular FormulaC21H20FI2N3O4S
Molecular Weight683.28 g/mol
Exact Mass682.92
IUPAC Name3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione
SMILESCc1c(=O)n2c(c3c1n(-c1ccc(I)cc1F)c(=O)n3S(=O)(=O)C1(CCI)CC1)CCC2
InChIInChI=1S/C21H20FI2N3O4S/c1-12-17-18(16-3-2-10-25(16)19(12)28)27(32(30,31)21(6-7-21)8-9-23)20(29)26(17)15-5-4-13(24)11-14(15)22/h4-5,11H,2-3,6-10H2,1H3
InChIKeyPOIICXQWNAXCJD-UHFFFAOYSA-N
XLogP3.49
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500683.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione?
The IUPAC name of 3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione (CID 89023836) is 3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione.
What is the SMILES notation for 3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione?
The canonical SMILES for 3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione is Cc1c(=O)n2c(c3c1n(-c1ccc(I)cc1F)c(=O)n3S(=O)(=O)C1(CCI)CC1)CCC2.
What is the InChIKey of 3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione?
The InChIKey is POIICXQWNAXCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FI2N3O4S/c1-12-17-18(16-3-2-10-25(16)19(12)28)27(32(30,31)21(6-7-21)8-9-23)20(29)26(17)15-5-4-13(24)11-14(15)22/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of 3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione?
3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione has a molecular weight of 683.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodophenyl)-1-[1-(2-iodoethyl)cyclopropyl]sulfonyl-4-methyl-8,9-dihydro-7H-imidazo[4,5-g]indolizine-2,5-dione is sourced from PubChem (CID 89023836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).