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

C34H38N6O2 — CID 167021169

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

2-[[4-[6-[(3-cyclopropylpyrazolo[1,5-a]pyridin-5-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole (PubChem CID 167021169) has the molecular formula C34H38N6O2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-[[4-[6-[(3-cyclopropylpyrazolo[1,5-a]pyridin-5-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole.

Molecular Properties

• Compound Name: 2-[[4-[6-[(3-cyclopropylpyrazolo[1,5-a]pyridin-5-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole
• PubChem CID: 167021169
• Molecular Formula: C34H38N6O2
• Molecular Weight: 562.72 g/mol
• Exact Mass: 562.31
• IUPAC Name: 2-[[4-[6-[(3-cyclopropylpyrazolo[1,5-a]pyridin-5-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole
• SMILES: Cc1ccc2nc(CN3CCC(c4cccc(OCc5ccn6ncc(C7CC7)c6c5)n4)CC3)n(CC3CCO3)c2c1
• InChI: InChI=1S/C34H38N6O2/c1-23-5-8-30-32(17-23)39(20-27-12-16-41-27)33(36-30)21-38-13-10-26(11-14-38)29-3-2-4-34(37-29)42-22-24-9-15-40-31(18-24)28(19-35-40)25-6-7-25/h2-5,8-9,15,17-19,25-27H,6-7,10-14,16,20-22H2,1H3
• InChIKey: AHQKDTVXCBITQO-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 69.71 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.72
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[[4-[6-[(3-cyclopropylpyrazolo[1,5-a]pyridin-5-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole (CID 167021169) is 2-[[4-[6-[(3-cyclopropylpyrazolo[1,5-a]pyridin-5-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole.

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

The canonical SMILES for 2-[[4-[6-[(3-cyclopropylpyrazolo[1,5-a]pyridin-5-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole is Cc1ccc2nc(CN3CCC(c4cccc(OCc5ccn6ncc(C7CC7)c6c5)n4)CC3)n(CC3CCO3)c2c1.

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

The InChIKey is AHQKDTVXCBITQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O2/c1-23-5-8-30-32(17-23)39(20-27-12-16-41-27)33(36-30)21-38-13-10-26(11-14-38)29-3-2-4-34(37-29)42-22-24-9-15-40-31(18-24)28(19-35-40)25-6-7-25/h2-5,8-9,15,17-19,25-27H,6-7,10-14,16,20-22H2,1H3.

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

2-[[4-[6-[(3-cyclopropylpyrazolo[1,5-a]pyridin-5-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole has a molecular weight of 562.72 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[6-[(3-cyclopropylpyrazolo[1,5-a]pyridin-5-yl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 167021169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).