2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine

C22H19FIN3 — CID 70832075

IUPAC2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(F)c(-c2nc3cccc(C)n3c2Nc2c(C)cccc2I)c1
InChIInChI=1S/C22H19FIN3/c1-13-10-11-17(23)16(12-13)21-22(26-20-14(2)6-4-8-18(20)24)27-15(3)7-5-9-19(27)25-21/h4-12,26H,1-3H3
InChIKeyVHTDWFYNLWANQR-UHFFFAOYSA-N
MW471.32 g/mol
LogP6.41
Rot. Bonds3

About 2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine

2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 70832075) has the molecular formula C22H19FIN3 and a molecular weight of 471.32 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID70832075
Molecular FormulaC22H19FIN3
Molecular Weight471.32 g/mol
Exact Mass471.06
IUPAC Name2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(F)c(-c2nc3cccc(C)n3c2Nc2c(C)cccc2I)c1
InChIInChI=1S/C22H19FIN3/c1-13-10-11-17(23)16(12-13)21-22(26-20-14(2)6-4-8-18(20)24)27-15(3)7-5-9-19(27)25-21/h4-12,26H,1-3H3
InChIKeyVHTDWFYNLWANQR-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 2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine (CID 70832075) is 2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine is Cc1ccc(F)c(-c2nc3cccc(C)n3c2Nc2c(C)cccc2I)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is VHTDWFYNLWANQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FIN3/c1-13-10-11-17(23)16(12-13)21-22(26-20-14(2)6-4-8-18(20)24)27-15(3)7-5-9-19(27)25-21/h4-12,26H,1-3H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-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 2-(2-fluoro-5-methylphenyl)-N-(2-iodo-6-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 70832075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).