N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

C28H36F3N3O2S — CID 24891804

IUPACN-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCCCCCCSc1cccc(-c2nc3ccc(C)cn3c2NC2CCCCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H35N3S.C2HF3O2/c1-3-4-5-9-17-30-23-14-10-11-21(18-23)25-26(27-22-12-7-6-8-13-22)29-19-20(2)15-16-24(29)28-25;3-2(4,5)1(6)7/h10-11,14-16,18-19,22,27H,3-9,12-13,17H2,1-2H3;(H,6,7)
InChIKeyGQCHNPBOBGTYPA-UHFFFAOYSA-N
MW535.68 g/mol
LogP8.36
Rot. Bonds9

About N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 24891804) has the molecular formula C28H36F3N3O2S and a molecular weight of 535.68 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID24891804
Molecular FormulaC28H36F3N3O2S
Molecular Weight535.68 g/mol
Exact Mass535.25
IUPAC NameN-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCCCCCCSc1cccc(-c2nc3ccc(C)cn3c2NC2CCCCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H35N3S.C2HF3O2/c1-3-4-5-9-17-30-23-14-10-11-21(18-23)25-26(27-22-12-7-6-8-13-22)29-19-20(2)15-16-24(29)28-25;3-2(4,5)1(6)7/h10-11,14-16,18-19,22,27H,3-9,12-13,17H2,1-2H3;(H,6,7)
InChIKeyGQCHNPBOBGTYPA-UHFFFAOYSA-N
XLogP8.36
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.68
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(3-hexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 24891788
2-(4-butan-2-ylsulfanylphenyl)-N-cyclohexyl-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 24892534
N-benzyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 24891787
N-cyclohexyl-6-methyl-2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 809077
4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
N-cyclohexyl-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 1071670
N-cyclopentyl-2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 162650595
[3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate
CID 1195024
N-benzyl-2-(4-cyclohexylsulfanyl-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 24891792
2-(3-butan-2-ylsulfanylphenyl)-N-butyl-6-chloroimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 53299548
3-(3,4-dimethylphenyl)sulfanyl-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 18271086
6-bromo-N-cyclohexyl-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 4589362

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid (CID 24891804) is N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid is CCCCCCSc1cccc(-c2nc3ccc(C)cn3c2NC2CCCCC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GQCHNPBOBGTYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3S.C2HF3O2/c1-3-4-5-9-17-30-23-14-10-11-21(18-23)25-26(27-22-12-7-6-8-13-22)29-19-20(2)15-16-24(29)28-25;3-2(4,5)1(6)7/h10-11,14-16,18-19,22,27H,3-9,12-13,17H2,1-2H3;(H,6,7).
What are the key properties of N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 535.68 g/mol, XLogP of 8.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-hexylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 24891804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).