2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine

C23H16N8 — CID 136943522

About 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine

2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 136943522) has the molecular formula C23H16N8 and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 136943522
• Molecular Formula: C23H16N8
• Molecular Weight: 404.44 g/mol
• Exact Mass: 404.15
• IUPAC Name: 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
• SMILES: Cc1ccncc1-c1cc2c(-c3nc4c(-c5ccccn5)nccc4[nH]3)n[nH]c2cn1
• InChI: InChI=1S/C23H16N8/c1-13-5-8-24-11-15(13)18-10-14-19(12-27-18)30-31-20(14)23-28-17-6-9-26-21(22(17)29-23)16-4-2-3-7-25-16/h2-12H,1H3,(H,28,29)(H,30,31)
• InChIKey: URBJJRCITPZWDT-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.44
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (CID 136943522) is 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is Cc1ccncc1-c1cc2c(-c3nc4c(-c5ccccn5)nccc4[nH]3)n[nH]c2cn1.

What is the InChIKey of 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?

The InChIKey is URBJJRCITPZWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8/c1-13-5-8-24-11-15(13)18-10-14-19(12-27-18)30-31-20(14)23-28-17-6-9-26-21(22(17)29-23)16-4-2-3-7-25-16/h2-12H,1H3,(H,28,29)(H,30,31).

What are the key properties of 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?

2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 404.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136943522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).