[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone

C26H25N9O2 — CID 129245469

About [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone

[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 129245469) has the molecular formula C26H25N9O2 and a molecular weight of 495.55 g/mol. Its IUPAC name is [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

• Compound Name: [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone
• PubChem CID: 129245469
• Molecular Formula: C26H25N9O2
• Molecular Weight: 495.55 g/mol
• Exact Mass: 495.21
• IUPAC Name: [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone
• SMILES: Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)c6cccnc6)CC5)ccn4)[nH]c3c2)n1
• InChI: InChI=1S/C26H25N9O2/c1-17-29-24(37-33-17)19-4-5-21-22(14-19)31-26(30-21)32-23-13-18(6-8-28-23)16-34-9-11-35(12-10-34)25(36)20-3-2-7-27-15-20/h2-8,13-15H,9-12,16H2,1H3,(H2,28,30,31,32)
• InChIKey: UNIUORWQJQOIDA-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 128.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.55
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone?

The IUPAC name of [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone (CID 129245469) is [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone.

What is the SMILES notation for [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone?

The canonical SMILES for [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone is Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)c6cccnc6)CC5)ccn4)[nH]c3c2)n1.

What is the InChIKey of [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone?

The InChIKey is UNIUORWQJQOIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9O2/c1-17-29-24(37-33-17)19-4-5-21-22(14-19)31-26(30-21)32-23-13-18(6-8-28-23)16-34-9-11-35(12-10-34)25(36)20-3-2-7-27-15-20/h2-8,13-15H,9-12,16H2,1H3,(H2,28,30,31,32).

What are the key properties of [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone?

[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 495.55 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 129245469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).