2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H19F3IN3O — CID 71009847

IUPAC2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(I)cn2c1C(=O)NCc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C24H19F3IN3O/c1-2-20-22(31-14-17(28)11-12-21(31)30-20)23(32)29-13-15-7-9-16(10-8-15)18-5-3-4-6-19(18)24(25,26)27/h3-12,14H,2,13H2,1H3,(H,29,32)
InChIKeySZILDBQQDWUVFU-UHFFFAOYSA-N
MW549.33 g/mol
LogP6.12
Rot. Bonds5

About 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71009847) has the molecular formula C24H19F3IN3O and a molecular weight of 549.33 g/mol. Its IUPAC name is 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71009847
Molecular FormulaC24H19F3IN3O
Molecular Weight549.33 g/mol
Exact Mass549.05
IUPAC Name2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(I)cn2c1C(=O)NCc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C24H19F3IN3O/c1-2-20-22(31-14-17(28)11-12-21(31)30-20)23(32)29-13-15-7-9-16(10-8-15)18-5-3-4-6-19(18)24(25,26)27/h3-12,14H,2,13H2,1H3,(H,29,32)
InChIKeySZILDBQQDWUVFU-UHFFFAOYSA-N
XLogP6.12
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.33
LogP ≤ 56.12
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-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71009847) is 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(I)cn2c1C(=O)NCc1ccc(-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SZILDBQQDWUVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3IN3O/c1-2-20-22(31-14-17(28)11-12-21(31)30-20)23(32)29-13-15-7-9-16(10-8-15)18-5-3-4-6-19(18)24(25,26)27/h3-12,14H,2,13H2,1H3,(H,29,32).
What are the key properties of 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 549.33 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71009847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).