2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine

C29H20N8O — CID 136947237

About 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine

2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 136947237) has the molecular formula C29H20N8O and a molecular weight of 496.53 g/mol. Its IUPAC name is 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine
• PubChem CID: 136947237
• Molecular Formula: C29H20N8O
• Molecular Weight: 496.53 g/mol
• Exact Mass: 496.18
• IUPAC Name: 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine
• SMILES: c1ccc(COc2cncc(-c3cc4c(-c5nc6c(-c7ccccn7)cncc6[nH]5)n[nH]c4cn3)c2)cc1
• InChI: InChI=1S/C29H20N8O/c1-2-6-18(7-3-1)17-38-20-10-19(12-30-13-20)24-11-21-25(16-33-24)36-37-28(21)29-34-26-15-31-14-22(27(26)35-29)23-8-4-5-9-32-23/h1-16H,17H2,(H,34,35)(H,36,37)
• InChIKey: UZEMPWJKTHPNDB-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 118.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.53
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine (CID 136947237) is 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine is c1ccc(COc2cncc(-c3cc4c(-c5nc6c(-c7ccccn7)cncc6[nH]5)n[nH]c4cn3)c2)cc1.

What is the InChIKey of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine?

The InChIKey is UZEMPWJKTHPNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N8O/c1-2-6-18(7-3-1)17-38-20-10-19(12-30-13-20)24-11-21-25(16-33-24)36-37-28(21)29-34-26-15-31-14-22(27(26)35-29)23-8-4-5-9-32-23/h1-16H,17H2,(H,34,35)(H,36,37).

What are the key properties of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine?

2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 496.53 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136947237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).