N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide

C32H34N6O2S — CID 44623602

About N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide

N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide (PubChem CID 44623602) has the molecular formula C32H34N6O2S and a molecular weight of 566.73 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide
• PubChem CID: 44623602
• Molecular Formula: C32H34N6O2S
• Molecular Weight: 566.73 g/mol
• Exact Mass: 566.25
• IUPAC Name: N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide
• SMILES: Cc1nc2cc(CN(C)C)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)n1
• InChI: InChI=1S/C32H34N6O2S/c1-21-29(38-15-12-22(19-37(2)3)18-28(38)34-21)27-20-41-31(36-27)32(13-16-40-17-14-32)24-10-8-23(9-11-24)30(39)35-26-7-5-4-6-25(26)33/h4-12,15,18,20H,13-14,16-17,19,33H2,1-3H3,(H,35,39)
• InChIKey: HLNQPVLMRBFMPB-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 97.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.73
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	2
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-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide (CID 44623602) is N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide.

What is the SMILES notation for N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide is Cc1nc2cc(CN(C)C)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)n1.

What is the InChIKey of N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?

The InChIKey is HLNQPVLMRBFMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O2S/c1-21-29(38-15-12-22(19-37(2)3)18-28(38)34-21)27-20-41-31(36-27)32(13-16-40-17-14-32)24-10-8-23(9-11-24)30(39)35-26-7-5-4-6-25(26)33/h4-12,15,18,20H,13-14,16-17,19,33H2,1-3H3,(H,35,39).

What are the key properties of N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?

N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide has a molecular weight of 566.73 g/mol, XLogP of 5.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[4-[4-[7-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide is sourced from PubChem (CID 44623602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).