N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine

C25H20FN3S — CID 25056749

IUPACN-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2-c2cccs2)nc2ccc(F)cn12
InChIInChI=1S/C25H20FN3S/c1-16-7-5-8-17(2)23(16)28-25-24(27-22-13-12-18(26)15-29(22)25)20-10-4-3-9-19(20)21-11-6-14-30-21/h3-15,28H,1-2H3
InChIKeyVKVVRXNLAPMFEX-UHFFFAOYSA-N
MW413.52 g/mol
LogP7.23
Rot. Bonds4

About N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine

N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 25056749) has the molecular formula C25H20FN3S and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID25056749
Molecular FormulaC25H20FN3S
Molecular Weight413.52 g/mol
Exact Mass413.14
IUPAC NameN-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2-c2cccs2)nc2ccc(F)cn12
InChIInChI=1S/C25H20FN3S/c1-16-7-5-8-17(2)23(16)28-25-24(27-22-13-12-18(26)15-29(22)25)20-10-4-3-9-19(20)21-11-6-14-30-21/h3-15,28H,1-2H3
InChIKeyVKVVRXNLAPMFEX-UHFFFAOYSA-N
XLogP7.23
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 25056749) is N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine is Cc1cccc(C)c1Nc1c(-c2ccccc2-c2cccs2)nc2ccc(F)cn12.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is VKVVRXNLAPMFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3S/c1-16-7-5-8-17(2)23(16)28-25-24(27-22-13-12-18(26)15-29(22)25)20-10-4-3-9-19(20)21-11-6-14-30-21/h3-15,28H,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 413.52 g/mol, XLogP of 7.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-fluoro-2-(2-thiophen-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 25056749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).