N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide

C28H32N6O2S — CID 169113015

About N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide

N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 169113015) has the molecular formula C28H32N6O2S and a molecular weight of 516.67 g/mol. Its IUPAC name is N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 169113015
• Molecular Formula: C28H32N6O2S
• Molecular Weight: 516.67 g/mol
• Exact Mass: 516.23
• IUPAC Name: N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
• SMILES: C[C@H]1CC[C@H](c2ccc3sc(C4CCCN(C)C4)nc3c2)N(C(=O)C(=O)Nc2ccn3ccnc3c2)C1
• InChI: InChI=1S/C28H32N6O2S/c1-18-5-7-23(19-6-8-24-22(14-19)31-27(37-24)20-4-3-11-32(2)17-20)34(16-18)28(36)26(35)30-21-9-12-33-13-10-29-25(33)15-21/h6,8-10,12-15,18,20,23H,3-5,7,11,16-17H2,1-2H3,(H,30,35)/t18-,20?,23+/m0/s1
• InChIKey: VFLLIEHUYCYLEM-CIZMTRRBSA-N
• XLogP: 4.69
• TPSA: 82.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.67
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide (CID 169113015) is N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide is C[C@H]1CC[C@H](c2ccc3sc(C4CCCN(C)C4)nc3c2)N(C(=O)C(=O)Nc2ccn3ccnc3c2)C1.

What is the InChIKey of N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

The InChIKey is VFLLIEHUYCYLEM-CIZMTRRBSA-N. The full InChI is InChI=1S/C28H32N6O2S/c1-18-5-7-23(19-6-8-24-22(14-19)31-27(37-24)20-4-3-11-32(2)17-20)34(16-18)28(36)26(35)30-21-9-12-33-13-10-29-25(33)15-21/h6,8-10,12-15,18,20,23H,3-5,7,11,16-17H2,1-2H3,(H,30,35)/t18-,20?,23+/m0/s1.

What are the key properties of N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 516.67 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-imidazo[1,2-a]pyridin-7-yl-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169113015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).