N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

C25H19F3N6O2S — CID 25151789

About N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 25151789) has the molecular formula C25H19F3N6O2S and a molecular weight of 524.53 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
• PubChem CID: 25151789
• Molecular Formula: C25H19F3N6O2S
• Molecular Weight: 524.53 g/mol
• Exact Mass: 524.12
• IUPAC Name: N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
• SMILES: COc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C(F)(F)F)nc2c1
• InChI: InChI=1S/C25H19F3N6O2S/c1-36-16-10-11-34-20(12-16)33-22(25(26,27)28)21(34)19-13-37-24(32-19)30-15-8-6-14(7-9-15)23(35)31-18-5-3-2-4-17(18)29/h2-13H,29H2,1H3,(H,30,32)(H,31,35)
• InChIKey: DZPYCBZAXXKVMF-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 106.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.53
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (CID 25151789) is N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

What is the SMILES notation for N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is COc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C(F)(F)F)nc2c1.

What is the InChIKey of N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The InChIKey is DZPYCBZAXXKVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2S/c1-36-16-10-11-34-20(12-16)33-22(25(26,27)28)21(34)19-13-37-24(32-19)30-15-8-6-14(7-9-15)23(35)31-18-5-3-2-4-17(18)29/h2-13H,29H2,1H3,(H,30,32)(H,31,35).

What are the key properties of N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 524.53 g/mol, XLogP of 6.06, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 25151789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).