2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

C26H32F3N3O3S — CID 24891766

IUPAC2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCCC(C)Sc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C24H31N3OS.C2HF3O2/c1-4-17(2)29-21-16-18(13-14-20(21)28-3)23-24(25-19-10-6-5-7-11-19)27-15-9-8-12-22(27)26-23;3-2(4,5)1(6)7/h8-9,12-17,19,25H,4-7,10-11H2,1-3H3;(H,6,7)
InChIKeyFYGPBRJJHQKZOE-UHFFFAOYSA-N
MW523.62 g/mol
LogP7.28
Rot. Bonds7

About 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 24891766) has the molecular formula C26H32F3N3O3S and a molecular weight of 523.62 g/mol. Its IUPAC name is 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID24891766
Molecular FormulaC26H32F3N3O3S
Molecular Weight523.62 g/mol
Exact Mass523.21
IUPAC Name2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCCC(C)Sc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C24H31N3OS.C2HF3O2/c1-4-17(2)29-21-16-18(13-14-20(21)28-3)23-24(25-19-10-6-5-7-11-19)27-15-9-8-12-22(27)26-23;3-2(4,5)1(6)7/h8-9,12-17,19,25H,4-7,10-11H2,1-3H3;(H,6,7)
InChIKeyFYGPBRJJHQKZOE-UHFFFAOYSA-N
XLogP7.28
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.62
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid (CID 24891766) is 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid is CCC(C)Sc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1OC.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is FYGPBRJJHQKZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3OS.C2HF3O2/c1-4-17(2)29-21-16-18(13-14-20(21)28-3)23-24(25-19-10-6-5-7-11-19)27-15-9-8-12-22(27)26-23;3-2(4,5)1(6)7/h8-9,12-17,19,25H,4-7,10-11H2,1-3H3;(H,6,7).
What are the key properties of 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 523.62 g/mol, XLogP of 7.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 24891766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).