5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

C23H18F6N4OS — CID 90178684

IUPAC5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)S(=O)c1ccc(-c2cnc3c(C(F)(F)F)cc(-c4cnc(N)c(C(F)(F)F)c4)cn23)cc1
InChIInChI=1S/C23H18F6N4OS/c1-12(2)35(34)16-5-3-13(4-6-16)19-10-32-21-18(23(27,28)29)8-15(11-33(19)21)14-7-17(22(24,25)26)20(30)31-9-14/h3-12H,1-2H3,(H2,30,31)
InChIKeyNLKGXYGWEXSZJV-UHFFFAOYSA-N
MW512.48 g/mol
LogP6.20
Rot. Bonds4

About 5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 90178684) has the molecular formula C23H18F6N4OS and a molecular weight of 512.48 g/mol. Its IUPAC name is 5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID90178684
Molecular FormulaC23H18F6N4OS
Molecular Weight512.48 g/mol
Exact Mass512.11
IUPAC Name5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)S(=O)c1ccc(-c2cnc3c(C(F)(F)F)cc(-c4cnc(N)c(C(F)(F)F)c4)cn23)cc1
InChIInChI=1S/C23H18F6N4OS/c1-12(2)35(34)16-5-3-13(4-6-16)19-10-32-21-18(23(27,28)29)8-15(11-33(19)21)14-7-17(22(24,25)26)20(30)31-9-14/h3-12H,1-2H3,(H2,30,31)
InChIKeyNLKGXYGWEXSZJV-UHFFFAOYSA-N
XLogP6.20
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.48
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine 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 5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 90178684) is 5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)S(=O)c1ccc(-c2cnc3c(C(F)(F)F)cc(-c4cnc(N)c(C(F)(F)F)c4)cn23)cc1.
What is the InChIKey of 5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NLKGXYGWEXSZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N4OS/c1-12(2)35(34)16-5-3-13(4-6-16)19-10-32-21-18(23(27,28)29)8-15(11-33(19)21)14-7-17(22(24,25)26)20(30)31-9-14/h3-12H,1-2H3,(H2,30,31).
What are the key properties of 5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 512.48 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 90178684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).