2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide

C24H20Cl2IN3O — CID 69411847

IUPAC2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCN(CC)C(=O)c1cc(I)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2c1
InChIInChI=1S/C24H20Cl2IN3O/c1-3-29(4-2)24(31)17-13-20(27)23-28-21(15-5-9-18(25)10-6-15)22(30(23)14-17)16-7-11-19(26)12-8-16/h5-14H,3-4H2,1-2H3
InChIKeyJZGWJJZGVXEUNL-UHFFFAOYSA-N
MW564.25 g/mol
LogP7.06
Rot. Bonds5

About 2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide

2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 69411847) has the molecular formula C24H20Cl2IN3O and a molecular weight of 564.25 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID69411847
Molecular FormulaC24H20Cl2IN3O
Molecular Weight564.25 g/mol
Exact Mass563.00
IUPAC Name2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCN(CC)C(=O)c1cc(I)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2c1
InChIInChI=1S/C24H20Cl2IN3O/c1-3-29(4-2)24(31)17-13-20(27)23-28-21(15-5-9-18(25)10-6-15)22(30(23)14-17)16-7-11-19(26)12-8-16/h5-14H,3-4H2,1-2H3
InChIKeyJZGWJJZGVXEUNL-UHFFFAOYSA-N
XLogP7.06
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.25
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide (CID 69411847) is 2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide is CCN(CC)C(=O)c1cc(I)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2c1.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is JZGWJJZGVXEUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2IN3O/c1-3-29(4-2)24(31)17-13-20(27)23-28-21(15-5-9-18(25)10-6-15)22(30(23)14-17)16-7-11-19(26)12-8-16/h5-14H,3-4H2,1-2H3.
What are the key properties of 2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide?
2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 564.25 g/mol, XLogP of 7.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-N,N-diethyl-8-iodoimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 69411847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).