3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide

C22H23F3N4OS — CID 70819335

IUPAC3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCSc1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(N)=O)c(C)c3C3CC3)n2c1
InChIInChI=1S/C22H23F3N4OS/c1-12-15(20(26)30)5-6-16(19(12)13-3-4-13)18-10-28-21-17(27-8-7-22(23,24)25)9-14(31-2)11-29(18)21/h5-6,9-11,13,27H,3-4,7-8H2,1-2H3,(H2,26,30)
InChIKeySITDETDYXARVMT-UHFFFAOYSA-N
MW448.51 g/mol
LogP5.37
Rot. Bonds7

About 3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide

3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 70819335) has the molecular formula C22H23F3N4OS and a molecular weight of 448.51 g/mol. Its IUPAC name is 3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID70819335
Molecular FormulaC22H23F3N4OS
Molecular Weight448.51 g/mol
Exact Mass448.15
IUPAC Name3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCSc1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(N)=O)c(C)c3C3CC3)n2c1
InChIInChI=1S/C22H23F3N4OS/c1-12-15(20(26)30)5-6-16(19(12)13-3-4-13)18-10-28-21-17(27-8-7-22(23,24)25)9-14(31-2)11-29(18)21/h5-6,9-11,13,27H,3-4,7-8H2,1-2H3,(H2,26,30)
InChIKeySITDETDYXARVMT-UHFFFAOYSA-N
XLogP5.37
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.51
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide 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 3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 70819335) is 3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is CSc1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(N)=O)c(C)c3C3CC3)n2c1.
What is the InChIKey of 3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is SITDETDYXARVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4OS/c1-12-15(20(26)30)5-6-16(19(12)13-3-4-13)18-10-28-21-17(27-8-7-22(23,24)25)9-14(31-2)11-29(18)21/h5-6,9-11,13,27H,3-4,7-8H2,1-2H3,(H2,26,30).
What are the key properties of 3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 448.51 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methyl-4-[6-methylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 70819335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).