5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one

C28H28N8O — CID 171103460

About 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one

5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one (PubChem CID 171103460) has the molecular formula C28H28N8O and a molecular weight of 492.59 g/mol. Its IUPAC name is 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one
• PubChem CID: 171103460
• Molecular Formula: C28H28N8O
• Molecular Weight: 492.59 g/mol
• Exact Mass: 492.24
• IUPAC Name: 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one
• SMILES: Cn1cc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CN5CCNCC5)cc4)c3n2)ccc1=O
• InChI: InChI=1S/C28H28N8O/c1-34-18-20(6-11-25(34)37)23-9-10-24-28(32-23)36(27(33-24)22-3-2-12-31-26(22)29)21-7-4-19(5-8-21)17-35-15-13-30-14-16-35/h2-12,18,30H,13-17H2,1H3,(H2,29,31)
• InChIKey: BXWZHNRBHPIPPZ-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 106.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.59
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one?

The IUPAC name of 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one (CID 171103460) is 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one.

What is the SMILES notation for 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one?

The canonical SMILES for 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one is Cn1cc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CN5CCNCC5)cc4)c3n2)ccc1=O.

What is the InChIKey of 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one?

The InChIKey is BXWZHNRBHPIPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O/c1-34-18-20(6-11-25(34)37)23-9-10-24-28(32-23)36(27(33-24)22-3-2-12-31-26(22)29)21-7-4-19(5-8-21)17-35-15-13-30-14-16-35/h2-12,18,30H,13-17H2,1H3,(H2,29,31).

What are the key properties of 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one?

5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one has a molecular weight of 492.59 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-amino-3-pyridinyl)-3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 171103460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).