7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine

C26H30FN7O — CID 171503306

About 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine

7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine (PubChem CID 171503306) has the molecular formula C26H30FN7O and a molecular weight of 475.57 g/mol. Its IUPAC name is 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine
• PubChem CID: 171503306
• Molecular Formula: C26H30FN7O
• Molecular Weight: 475.57 g/mol
• Exact Mass: 475.25
• IUPAC Name: 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine
• SMILES: Cc1cc2c(-c3cccc(C4(Cc5nncn5C)COC4)c3)n[nH]c2c(C(C)N2CCC(F)C2)n1
• InChI: InChI=1S/C26H30FN7O/c1-16-9-21-24(31-32-25(21)23(29-16)17(2)34-8-7-20(27)12-34)18-5-4-6-19(10-18)26(13-35-14-26)11-22-30-28-15-33(22)3/h4-6,9-10,15,17,20H,7-8,11-14H2,1-3H3,(H,31,32)
• InChIKey: UPSWXEKDVUPLLP-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 84.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.57
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine?

The IUPAC name of 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine (CID 171503306) is 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine.

What is the SMILES notation for 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine?

The canonical SMILES for 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine is Cc1cc2c(-c3cccc(C4(Cc5nncn5C)COC4)c3)n[nH]c2c(C(C)N2CCC(F)C2)n1.

What is the InChIKey of 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine?

The InChIKey is UPSWXEKDVUPLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O/c1-16-9-21-24(31-32-25(21)23(29-16)17(2)34-8-7-20(27)12-34)18-5-4-6-19(10-18)26(13-35-14-26)11-22-30-28-15-33(22)3/h4-6,9-10,15,17,20H,7-8,11-14H2,1-3H3,(H,31,32).

What are the key properties of 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine?

7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine has a molecular weight of 475.57 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(3-fluoropyrrolidin-1-yl)ethyl]-5-methyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 171503306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).