2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid

C33H36N6O5 — CID 175576480

About 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid

2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 175576480) has the molecular formula C33H36N6O5 and a molecular weight of 596.69 g/mol. Its IUPAC name is 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
• PubChem CID: 175576480
• Molecular Formula: C33H36N6O5
• Molecular Weight: 596.69 g/mol
• Exact Mass: 596.27
• IUPAC Name: 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
• SMILES: COc1ccc(COc2cccc(C3CCN(Cc4nc5c(C)cc(C(=O)O)cc5n4CC4CCO4)CC3)n2)c2ccnn12
• InChI: InChI=1S/C33H36N6O5/c1-21-16-24(33(40)41)17-28-32(21)36-29(38(28)18-25-11-15-43-25)19-37-13-9-22(10-14-37)26-4-3-5-30(35-26)44-20-23-6-7-31(42-2)39-27(23)8-12-34-39/h3-8,12,16-17,22,25H,9-11,13-15,18-20H2,1-2H3,(H,40,41)
• InChIKey: FHHXFPAFWJMPQC-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 116.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.69
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid?

The IUPAC name of 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid (CID 175576480) is 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid.

What is the SMILES notation for 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid?

The canonical SMILES for 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid is COc1ccc(COc2cccc(C3CCN(Cc4nc5c(C)cc(C(=O)O)cc5n4CC4CCO4)CC3)n2)c2ccnn12.

What is the InChIKey of 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid?

The InChIKey is FHHXFPAFWJMPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N6O5/c1-21-16-24(33(40)41)17-28-32(21)36-29(38(28)18-25-11-15-43-25)19-37-13-9-22(10-14-37)26-4-3-5-30(35-26)44-20-23-6-7-31(42-2)39-27(23)8-12-34-39/h3-8,12,16-17,22,25H,9-11,13-15,18-20H2,1-2H3,(H,40,41).

What are the key properties of 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid?

2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 596.69 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[6-[(7-methoxypyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 175576480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).