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

C34H36N6O4 — CID 175576477

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

2-[[4-[6-[(2-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 175576477) has the molecular formula C34H36N6O4 and a molecular weight of 592.70 g/mol. Its IUPAC name is 2-[[4-[6-[(2-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[4-[6-[(2-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
• PubChem CID: 175576477
• Molecular Formula: C34H36N6O4
• Molecular Weight: 592.70 g/mol
• Exact Mass: 592.28
• IUPAC Name: 2-[[4-[6-[(2-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
• SMILES: O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5cccn6nc(C7CC7)cc56)n4)CC3)n(CC3CCO3)c2c1
• InChI: InChI=1S/C34H36N6O4/c41-34(42)24-8-9-28-31(17-24)39(19-26-12-16-43-26)32(35-28)20-38-14-10-23(11-15-38)27-4-1-5-33(36-27)44-21-25-3-2-13-40-30(25)18-29(37-40)22-6-7-22/h1-5,8-9,13,17-18,22-23,26H,6-7,10-12,14-16,19-21H2,(H,41,42)
• InChIKey: GJRQYEPAGUYGOI-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 107.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.70
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[[4-[6-[(2-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid (CID 175576477) is 2-[[4-[6-[(2-cyclopropylpyrazolo[1,5-a]pyridin-4-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-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid?

The canonical SMILES for 2-[[4-[6-[(2-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5cccn6nc(C7CC7)cc56)n4)CC3)n(CC3CCO3)c2c1.

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

The InChIKey is GJRQYEPAGUYGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O4/c41-34(42)24-8-9-28-31(17-24)39(19-26-12-16-43-26)32(35-28)20-38-14-10-23(11-15-38)27-4-1-5-33(36-27)44-21-25-3-2-13-40-30(25)18-29(37-40)22-6-7-22/h1-5,8-9,13,17-18,22-23,26H,6-7,10-12,14-16,19-21H2,(H,41,42).

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

2-[[4-[6-[(2-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 592.70 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[6-[(2-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 175576477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).