2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

C27H34F3N3O3S — CID 53299542

IUPAC2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCCC(C)Sc1cc(-c2nc3cc(C)ccn3c2NC2CCCCC2)ccc1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C25H33N3OS.C2HF3O2/c1-5-18(3)30-22-16-19(11-12-21(22)29-4)24-25(26-20-9-7-6-8-10-20)28-14-13-17(2)15-23(28)27-24;3-2(4,5)1(6)7/h11-16,18,20,26H,5-10H2,1-4H3;(H,6,7)
InChIKeyJJYAQPULZCKWKV-UHFFFAOYSA-N
MW537.65 g/mol
LogP7.59
Rot. Bonds7

About 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 53299542) has the molecular formula C27H34F3N3O3S and a molecular weight of 537.65 g/mol. Its IUPAC name is 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID53299542
Molecular FormulaC27H34F3N3O3S
Molecular Weight537.65 g/mol
Exact Mass537.23
IUPAC Name2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCCC(C)Sc1cc(-c2nc3cc(C)ccn3c2NC2CCCCC2)ccc1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C25H33N3OS.C2HF3O2/c1-5-18(3)30-22-16-19(11-12-21(22)29-4)24-25(26-20-9-7-6-8-10-20)28-14-13-17(2)15-23(28)27-24;3-2(4,5)1(6)7/h11-16,18,20,26H,5-10H2,1-4H3;(H,6,7)
InChIKeyJJYAQPULZCKWKV-UHFFFAOYSA-N
XLogP7.59
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.65
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[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-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid (CID 53299542) is 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[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-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid is CCC(C)Sc1cc(-c2nc3cc(C)ccn3c2NC2CCCCC2)ccc1OC.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is JJYAQPULZCKWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3OS.C2HF3O2/c1-5-18(3)30-22-16-19(11-12-21(22)29-4)24-25(26-20-9-7-6-8-10-20)28-14-13-17(2)15-23(28)27-24;3-2(4,5)1(6)7/h11-16,18,20,26H,5-10H2,1-4H3;(H,6,7).
What are the key properties of 2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid?
2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 537.65 g/mol, XLogP of 7.59, 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-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53299542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).