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

C28H19N7OS — CID 136947326

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

2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 136947326) has the molecular formula C28H19N7OS and a molecular weight of 501.58 g/mol. Its IUPAC name is 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-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-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
• PubChem CID: 136947326
• Molecular Formula: C28H19N7OS
• Molecular Weight: 501.58 g/mol
• Exact Mass: 501.14
• IUPAC Name: 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
• SMILES: c1ccc(COc2cncc(-c3cc4c(-c5nc6c(-c7cccs7)cncc6[nH]5)n[nH]c4cn3)c2)cc1
• InChI: InChI=1S/C28H19N7OS/c1-2-5-17(6-3-1)16-36-19-9-18(11-29-12-19)22-10-20-23(15-31-22)34-35-27(20)28-32-24-14-30-13-21(26(24)33-28)25-7-4-8-37-25/h1-15H,16H2,(H,32,33)(H,34,35)
• InChIKey: CYJRPCRWMFWZSG-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 105.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.58
LogP ≤ 5	6.27
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-thiophen-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-thiophen-2-yl-3H-imidazo[4,5-c]pyridine (CID 136947326) is 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-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-thiophen-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-thiophen-2-yl-3H-imidazo[4,5-c]pyridine is c1ccc(COc2cncc(-c3cc4c(-c5nc6c(-c7cccs7)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-thiophen-2-yl-3H-imidazo[4,5-c]pyridine?

The InChIKey is CYJRPCRWMFWZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N7OS/c1-2-5-17(6-3-1)16-36-19-9-18(11-29-12-19)22-10-20-23(15-31-22)34-35-27(20)28-32-24-14-30-13-21(26(24)33-28)25-7-4-8-37-25/h1-15H,16H2,(H,32,33)(H,34,35).

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

2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 501.58 g/mol, XLogP of 6.27, 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-thiophen-2-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136947326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).