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

C23H21F2N3O — CID 59578866

IUPAC2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCOc1cc(F)c(-c2nc3cccc(C)n3c2Nc2c(C)cccc2C)c(F)c1
InChIInChI=1S/C23H21F2N3O/c1-13-7-5-8-14(2)21(13)27-23-22(26-19-10-6-9-15(3)28(19)23)20-17(24)11-16(29-4)12-18(20)25/h5-12,27H,1-4H3
InChIKeyBPIJGOGZKTXZCZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.96
Rot. Bonds4

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

2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 59578866) has the molecular formula C23H21F2N3O and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID59578866
Molecular FormulaC23H21F2N3O
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCOc1cc(F)c(-c2nc3cccc(C)n3c2Nc2c(C)cccc2C)c(F)c1
InChIInChI=1S/C23H21F2N3O/c1-13-7-5-8-14(2)21(13)27-23-22(26-19-10-6-9-15(3)28(19)23)20-17(24)11-16(29-4)12-18(20)25/h5-12,27H,1-4H3
InChIKeyBPIJGOGZKTXZCZ-UHFFFAOYSA-N
XLogP5.96
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine (CID 59578866) is 2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine is COc1cc(F)c(-c2nc3cccc(C)n3c2Nc2c(C)cccc2C)c(F)c1.
What is the InChIKey of 2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is BPIJGOGZKTXZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O/c1-13-7-5-8-14(2)21(13)27-23-22(26-19-10-6-9-15(3)28(19)23)20-17(24)11-16(29-4)12-18(20)25/h5-12,27H,1-4H3.
What are the key properties of 2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 393.44 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 59578866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).