4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C28H22F2N8 — CID 136945147

About 4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 136945147) has the molecular formula C28H22F2N8 and a molecular weight of 508.54 g/mol. Its IUPAC name is 4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 136945147
• Molecular Formula: C28H22F2N8
• Molecular Weight: 508.54 g/mol
• Exact Mass: 508.19
• IUPAC Name: 4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
• SMILES: Fc1ccccc1-c1nccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(CN6CCCC6)c5)c(F)c34)nc12
• InChI: InChI=1S/C28H22F2N8/c29-20-6-2-1-5-18(20)24-25-21(7-8-32-24)34-28(35-25)26-22-23(30)19(14-33-27(22)37-36-26)17-11-16(12-31-13-17)15-38-9-3-4-10-38/h1-2,5-8,11-14H,3-4,9-10,15H2,(H,34,35)(H,33,36,37)
• InChIKey: KDMITBYAMLRTPJ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.54
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 136945147) is 4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

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

The canonical SMILES for 4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is Fc1ccccc1-c1nccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(CN6CCCC6)c5)c(F)c34)nc12.

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

The InChIKey is KDMITBYAMLRTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N8/c29-20-6-2-1-5-18(20)24-25-21(7-8-32-24)34-28(35-25)26-22-23(30)19(14-33-27(22)37-36-26)17-11-16(12-31-13-17)15-38-9-3-4-10-38/h1-2,5-8,11-14H,3-4,9-10,15H2,(H,34,35)(H,33,36,37).

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

4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 508.54 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 136945147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).