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

C22H16Cl2IN3O — CID 24742525

IUPAC2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide
SMILESCCNC(=O)c1cc(I)cn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C22H16Cl2IN3O/c1-2-26-22(29)18-11-17(25)12-28-20(14-5-9-16(24)10-6-14)19(27-21(18)28)13-3-7-15(23)8-4-13/h3-12H,2H2,1H3,(H,26,29)
InChIKeyDVRDDRQWUPLEPR-UHFFFAOYSA-N
MW536.20 g/mol
LogP6.33
Rot. Bonds4

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

2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 24742525) has the molecular formula C22H16Cl2IN3O and a molecular weight of 536.20 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID24742525
Molecular FormulaC22H16Cl2IN3O
Molecular Weight536.20 g/mol
Exact Mass534.97
IUPAC Name2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide
SMILESCCNC(=O)c1cc(I)cn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C22H16Cl2IN3O/c1-2-26-22(29)18-11-17(25)12-28-20(14-5-9-16(24)10-6-14)19(27-21(18)28)13-3-7-15(23)8-4-13/h3-12H,2H2,1H3,(H,26,29)
InChIKeyDVRDDRQWUPLEPR-UHFFFAOYSA-N
XLogP6.33
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.20
LogP ≤ 56.33
H-Bond Donors ≤ 51
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-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide (CID 24742525) is 2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide is CCNC(=O)c1cc(I)cn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is DVRDDRQWUPLEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2IN3O/c1-2-26-22(29)18-11-17(25)12-28-20(14-5-9-16(24)10-6-14)19(27-21(18)28)13-3-7-15(23)8-4-13/h3-12H,2H2,1H3,(H,26,29).
What are the key properties of 2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide?
2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 536.20 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 24742525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).