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

C25H29N9O2 — CID 129245617

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

[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 129245617) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 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]-pyrrolidin-1-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]-pyrrolidin-1-ylmethanone
• PubChem CID: 129245617
• Molecular Formula: C25H29N9O2
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.24
• IUPAC Name: [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
• SMILES: Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)N6CCCC6)CC5)ccn4)[nH]c3c2)n1
• InChI: InChI=1S/C25H29N9O2/c1-17-27-23(36-31-17)19-4-5-20-21(15-19)29-24(28-20)30-22-14-18(6-7-26-22)16-32-10-12-34(13-11-32)25(35)33-8-2-3-9-33/h4-7,14-15H,2-3,8-13,16H2,1H3,(H2,26,28,29,30)
• InChIKey: VZLQTJGFWUNXJC-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 119.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.57
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]-pyrrolidin-1-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]-pyrrolidin-1-ylmethanone (CID 129245617) is [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyrrolidin-1-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]-pyrrolidin-1-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]-pyrrolidin-1-ylmethanone is Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)N6CCCC6)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]-pyrrolidin-1-ylmethanone?

The InChIKey is VZLQTJGFWUNXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-17-27-23(36-31-17)19-4-5-20-21(15-19)29-24(28-20)30-22-14-18(6-7-26-22)16-32-10-12-34(13-11-32)25(35)33-8-2-3-9-33/h4-7,14-15H,2-3,8-13,16H2,1H3,(H2,26,28,29,30).

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]-pyrrolidin-1-ylmethanone?

[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 487.57 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 129245617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).