3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine

C27H21FN8 — CID 136507020

About 3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine

3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 136507020) has the molecular formula C27H21FN8 and a molecular weight of 476.52 g/mol. Its IUPAC name is 3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 136507020
• Molecular Formula: C27H21FN8
• Molecular Weight: 476.52 g/mol
• Exact Mass: 476.19
• IUPAC Name: 3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
• SMILES: Fc1cc(CN2CCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cccnc6)cc45)nc23)c1
• InChI: InChI=1S/C27H21FN8/c28-20-8-16(15-36-5-2-6-36)7-18(9-20)22-13-30-14-23-24(22)33-27(32-23)25-21-10-19(12-31-26(21)35-34-25)17-3-1-4-29-11-17/h1,3-4,7-14H,2,5-6,15H2,(H,32,33)(H,31,34,35)
• InChIKey: SOQXKTVFTQQRTK-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.52
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine (CID 136507020) is 3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine.

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

The canonical SMILES for 3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine is Fc1cc(CN2CCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cccnc6)cc45)nc23)c1.

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

The InChIKey is SOQXKTVFTQQRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN8/c28-20-8-16(15-36-5-2-6-36)7-18(9-20)22-13-30-14-23-24(22)33-27(32-23)25-21-10-19(12-31-26(21)35-34-25)17-3-1-4-29-11-17/h1,3-4,7-14H,2,5-6,15H2,(H,32,33)(H,31,34,35).

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

3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 476.52 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 136507020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).