N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine

C22H19FIN3 — CID 70832098

IUPACN-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccc(F)cc2I)nc2cccc(C)n12
InChIInChI=1S/C22H19FIN3/c1-13-6-4-7-14(2)20(13)26-22-21(17-11-10-16(23)12-18(17)24)25-19-9-5-8-15(3)27(19)22/h4-12,26H,1-3H3
InChIKeyMOVWZIPCIVYSLB-UHFFFAOYSA-N
MW471.32 g/mol
LogP6.41
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine

N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 70832098) has the molecular formula C22H19FIN3 and a molecular weight of 471.32 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID70832098
Molecular FormulaC22H19FIN3
Molecular Weight471.32 g/mol
Exact Mass471.06
IUPAC NameN-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccc(F)cc2I)nc2cccc(C)n12
InChIInChI=1S/C22H19FIN3/c1-13-6-4-7-14(2)20(13)26-22-21(17-11-10-16(23)12-18(17)24)25-19-9-5-8-15(3)27(19)22/h4-12,26H,1-3H3
InChIKeyMOVWZIPCIVYSLB-UHFFFAOYSA-N
XLogP6.41
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.32
LogP ≤ 56.41
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 N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine (CID 70832098) is N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine is Cc1cccc(C)c1Nc1c(-c2ccc(F)cc2I)nc2cccc(C)n12.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is MOVWZIPCIVYSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FIN3/c1-13-6-4-7-14(2)20(13)26-22-21(17-11-10-16(23)12-18(17)24)25-19-9-5-8-15(3)27(19)22/h4-12,26H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 471.32 g/mol, XLogP of 6.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 70832098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).