5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione

C25H22N6O2 — CID 135949391

About 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione

5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 135949391) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione
• PubChem CID: 135949391
• Molecular Formula: C25H22N6O2
• Molecular Weight: 438.49 g/mol
• Exact Mass: 438.18
• IUPAC Name: 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione
• SMILES: O=c1[nH]cc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c(=O)[nH]1
• InChI: InChI=1S/C25H22N6O2/c32-24-20(14-28-25(33)30-24)22-29-21-19(17-6-5-15-3-1-2-4-16(15)13-17)9-12-27-23(21)31(22)18-7-10-26-11-8-18/h1-6,9,12-14,18,26H,7-8,10-11H2,(H2,28,30,32,33)
• InChIKey: BCUQIXBUUKFLSM-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 108.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.49
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione (CID 135949391) is 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c(=O)[nH]1.

What is the InChIKey of 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione?

The InChIKey is BCUQIXBUUKFLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c32-24-20(14-28-25(33)30-24)22-29-21-19(17-6-5-15-3-1-2-4-16(15)13-17)9-12-27-23(21)31(22)18-7-10-26-11-8-18/h1-6,9,12-14,18,26H,7-8,10-11H2,(H2,28,30,32,33).

What are the key properties of 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione?

5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 438.49 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135949391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).