N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide

C27H24N8O2S — CID 118258054

About N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide

N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide (PubChem CID 118258054) has the molecular formula C27H24N8O2S and a molecular weight of 524.61 g/mol. Its IUPAC name is N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide
• PubChem CID: 118258054
• Molecular Formula: C27H24N8O2S
• Molecular Weight: 524.61 g/mol
• Exact Mass: 524.17
• IUPAC Name: N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide
• SMILES: Cc1nn2ccc(OCCNC(=O)c3cn(C)cn3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
• InChI: InChI=1S/C27H24N8O2S/c1-17-22(27-32-23(18-6-4-3-5-7-18)24(38-27)25-28-9-10-29-25)21-14-19(8-12-35(21)33-17)37-13-11-30-26(36)20-15-34(2)16-31-20/h3-10,12,14-16H,11,13H2,1-2H3,(H,28,29)(H,30,36)
• InChIKey: TYSSUWUANQXQEQ-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 115.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.61
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide?

The IUPAC name of N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide (CID 118258054) is N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide.

What is the SMILES notation for N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide?

The canonical SMILES for N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide is Cc1nn2ccc(OCCNC(=O)c3cn(C)cn3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.

What is the InChIKey of N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide?

The InChIKey is TYSSUWUANQXQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O2S/c1-17-22(27-32-23(18-6-4-3-5-7-18)24(38-27)25-28-9-10-29-25)21-14-19(8-12-35(21)33-17)37-13-11-30-26(36)20-15-34(2)16-31-20/h3-10,12,14-16H,11,13H2,1-2H3,(H,28,29)(H,30,36).

What are the key properties of N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide?

N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide has a molecular weight of 524.61 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 118258054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).