2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid

C34H38N6O5 — CID 167021354

About 2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid

2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 167021354) has the molecular formula C34H38N6O5 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
• PubChem CID: 167021354
• Molecular Formula: C34H38N6O5
• Molecular Weight: 610.72 g/mol
• Exact Mass: 610.29
• IUPAC Name: 2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
• SMILES: COCCn1cc2ccc(COc3cccc(C4CCN(Cc5nc6ccc(C(=O)O)cc6n5CC5CCO5)CC4)n3)cc2n1
• InChI: InChI=1S/C34H38N6O5/c1-43-16-14-39-19-26-6-5-23(17-30(26)37-39)22-45-33-4-2-3-28(36-33)24-9-12-38(13-10-24)21-32-35-29-8-7-25(34(41)42)18-31(29)40(32)20-27-11-15-44-27/h2-8,17-19,24,27H,9-16,20-22H2,1H3,(H,41,42)
• InChIKey: HVPMCJPSVAKQNS-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 116.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.72
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid (CID 167021354) is 2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid.

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

The canonical SMILES for 2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid is COCCn1cc2ccc(COc3cccc(C4CCN(Cc5nc6ccc(C(=O)O)cc6n5CC5CCO5)CC4)n3)cc2n1.

What is the InChIKey of 2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid?

The InChIKey is HVPMCJPSVAKQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O5/c1-43-16-14-39-19-26-6-5-23(17-30(26)37-39)22-45-33-4-2-3-28(36-33)24-9-12-38(13-10-24)21-32-35-29-8-7-25(34(41)42)18-31(29)40(32)20-27-11-15-44-27/h2-8,17-19,24,27H,9-16,20-22H2,1H3,(H,41,42).

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

2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 610.72 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[6-[[2-(2-methoxyethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 167021354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).