N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide

C26H24FN7O2S — CID 168886139

About N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide

N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide (PubChem CID 168886139) has the molecular formula C26H24FN7O2S and a molecular weight of 517.59 g/mol. Its IUPAC name is N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide
• PubChem CID: 168886139
• Molecular Formula: C26H24FN7O2S
• Molecular Weight: 517.59 g/mol
• Exact Mass: 517.17
• IUPAC Name: N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide
• SMILES: Cc1coc(-c2cc3c(cn2)nc(-c2ccccc2F)n3C2CC(NC(=O)c3nccs3)CN(C)C2)n1
• InChI: InChI=1S/C26H24FN7O2S/c1-15-14-36-25(30-15)20-10-22-21(11-29-20)32-23(18-5-3-4-6-19(18)27)34(22)17-9-16(12-33(2)13-17)31-24(35)26-28-7-8-37-26/h3-8,10-11,14,16-17H,9,12-13H2,1-2H3,(H,31,35)
• InChIKey: FPSHKEKZSPNPEQ-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 101.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.59
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide (CID 168886139) is N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide is Cc1coc(-c2cc3c(cn2)nc(-c2ccccc2F)n3C2CC(NC(=O)c3nccs3)CN(C)C2)n1.

What is the InChIKey of N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide?

The InChIKey is FPSHKEKZSPNPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2S/c1-15-14-36-25(30-15)20-10-22-21(11-29-20)32-23(18-5-3-4-6-19(18)27)34(22)17-9-16(12-33(2)13-17)31-24(35)26-28-7-8-37-26/h3-8,10-11,14,16-17H,9,12-13H2,1-2H3,(H,31,35).

What are the key properties of N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide?

N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 517.59 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168886139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).