2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine

C26H19ClFN3O — CID 25120522

IUPAC2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc(Oc4ccccc4)cc3)n12
InChIInChI=1S/C26H19ClFN3O/c1-17-7-5-12-23-30-25(24-21(27)10-6-11-22(24)28)26(31(17)23)29-18-13-15-20(16-14-18)32-19-8-3-2-4-9-19/h2-16,29H,1H3
InChIKeyCJYGTRWSOHMEMV-UHFFFAOYSA-N
MW443.91 g/mol
LogP7.64
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine

2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 25120522) has the molecular formula C26H19ClFN3O and a molecular weight of 443.91 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID25120522
Molecular FormulaC26H19ClFN3O
Molecular Weight443.91 g/mol
Exact Mass443.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc(Oc4ccccc4)cc3)n12
InChIInChI=1S/C26H19ClFN3O/c1-17-7-5-12-23-30-25(24-21(27)10-6-11-22(24)28)26(31(17)23)29-18-13-15-20(16-14-18)32-19-8-3-2-4-9-19/h2-16,29H,1H3
InChIKeyCJYGTRWSOHMEMV-UHFFFAOYSA-N
XLogP7.64
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.91
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine (CID 25120522) is 2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine is Cc1cccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc(Oc4ccccc4)cc3)n12.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is CJYGTRWSOHMEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN3O/c1-17-7-5-12-23-30-25(24-21(27)10-6-11-22(24)28)26(31(17)23)29-18-13-15-20(16-14-18)32-19-8-3-2-4-9-19/h2-16,29H,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine?
2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 443.91 g/mol, XLogP of 7.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-phenoxyphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 25120522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).