N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide

C26H20N8O2S — CID 58163785

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

N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 58163785) has the molecular formula C26H20N8O2S and a molecular weight of 508.57 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
• PubChem CID: 58163785
• Molecular Formula: C26H20N8O2S
• Molecular Weight: 508.57 g/mol
• Exact Mass: 508.14
• IUPAC Name: N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
• SMILES: Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(On5ccnc5)ccn34)cs2)cc1
• InChI: InChI=1S/C26H20N8O2S/c27-20-3-1-2-4-21(20)31-25(35)17-5-7-18(8-6-17)30-26-32-22(15-37-26)23-14-29-24-13-19(9-11-34(23)24)36-33-12-10-28-16-33/h1-16H,27H2,(H,30,32)(H,31,35)
• InChIKey: NNGKIFCGUBGBKF-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 124.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.57
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (CID 58163785) is N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[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-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(On5ccnc5)ccn34)cs2)cc1.

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

The InChIKey is NNGKIFCGUBGBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O2S/c27-20-3-1-2-4-21(20)31-25(35)17-5-7-18(8-6-17)30-26-32-22(15-37-26)23-14-29-24-13-19(9-11-34(23)24)36-33-12-10-28-16-33/h1-16H,27H2,(H,30,32)(H,31,35).

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

N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 508.57 g/mol, XLogP of 5.07, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[4-(7-imidazol-1-yloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 58163785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).