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

C28H27N7O2S — CID 25154045

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

N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 25154045) has the molecular formula C28H27N7O2S and a molecular weight of 525.64 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
• PubChem CID: 25154045
• Molecular Formula: C28H27N7O2S
• Molecular Weight: 525.64 g/mol
• Exact Mass: 525.19
• IUPAC Name: N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
• SMILES: Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(CN5CCOCC5)ccn34)cs2)cc1
• InChI: InChI=1S/C28H27N7O2S/c29-22-3-1-2-4-23(22)32-27(36)20-5-7-21(8-6-20)31-28-33-24(18-38-28)25-16-30-26-15-19(9-10-35(25)26)17-34-11-13-37-14-12-34/h1-10,15-16,18H,11-14,17,29H2,(H,31,33)(H,32,36)
• InChIKey: HZIXQNQQJZZZIO-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 109.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.64
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (CID 25154045) is N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)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-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(CN5CCOCC5)ccn34)cs2)cc1.

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

The InChIKey is HZIXQNQQJZZZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2S/c29-22-3-1-2-4-23(22)32-27(36)20-5-7-21(8-6-20)31-28-33-24(18-38-28)25-16-30-26-15-19(9-10-35(25)26)17-34-11-13-37-14-12-34/h1-10,15-16,18H,11-14,17,29H2,(H,31,33)(H,32,36).

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

N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 525.64 g/mol, XLogP of 4.87, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 25154045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).