3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C25H20N6 — CID 176982134

About 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176982134) has the molecular formula C25H20N6 and a molecular weight of 404.48 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 176982134
• Molecular Formula: C25H20N6
• Molecular Weight: 404.48 g/mol
• Exact Mass: 404.17
• IUPAC Name: 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc2c(c1)CCC2
• InChI: InChI=1S/C25H20N6/c26-23-21(7-3-11-28-23)24-30-22-13-19(18-6-2-10-27-14-18)15-29-25(22)31(24)20-9-8-16-4-1-5-17(16)12-20/h2-3,6-15H,1,4-5H2,(H2,26,28)
• InChIKey: ANNMACLMDOKSOO-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 82.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.48
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 176982134) is 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc2c(c1)CCC2.

What is the InChIKey of 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is ANNMACLMDOKSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6/c26-23-21(7-3-11-28-23)24-30-22-13-19(18-6-2-10-27-14-18)15-29-25(22)31(24)20-9-8-16-4-1-5-17(16)12-20/h2-3,6-15H,1,4-5H2,(H2,26,28).

What are the key properties of 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 404.48 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176982134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).