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

C21H12FN9 — CID 136943925

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

4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136943925) has the molecular formula C21H12FN9 and a molecular weight of 409.39 g/mol. Its IUPAC name is 4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 136943925
• Molecular Formula: C21H12FN9
• Molecular Weight: 409.39 g/mol
• Exact Mass: 409.12
• IUPAC Name: 4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
• SMILES: Fc1c(-c2cncnc2)ncc2[nH]nc(-c3nc4c(-c5ccccn5)nccc4[nH]3)c12
• InChI: InChI=1S/C21H12FN9/c22-16-15-14(9-27-17(16)11-7-23-10-24-8-11)30-31-20(15)21-28-13-4-6-26-18(19(13)29-21)12-3-1-2-5-25-12/h1-10H,(H,28,29)(H,30,31)
• InChIKey: ZVMPSRDZBFMJSE-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 121.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.39
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (CID 136943925) is 4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is Fc1c(-c2cncnc2)ncc2[nH]nc(-c3nc4c(-c5ccccn5)nccc4[nH]3)c12.

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

The InChIKey is ZVMPSRDZBFMJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN9/c22-16-15-14(9-27-17(16)11-7-23-10-24-8-11)30-31-20(15)21-28-13-4-6-26-18(19(13)29-21)12-3-1-2-5-25-12/h1-10H,(H,28,29)(H,30,31).

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

4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 409.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136943925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).