6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one

C24H24FN7O — CID 164860989

About 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one

6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one (PubChem CID 164860989) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one
• PubChem CID: 164860989
• Molecular Formula: C24H24FN7O
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.20
• IUPAC Name: 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one
• SMILES: Cn1c(-c2[nH]nc3nc(N4CC[C@@H]5[C@H](C4)[C@@]5(CN)c4ccccc4F)cnc23)cccc1=O
• InChI: InChI=1S/C24H24FN7O/c1-31-18(7-4-8-20(31)33)21-22-23(30-29-21)28-19(11-27-22)32-10-9-14-16(12-32)24(14,13-26)15-5-2-3-6-17(15)25/h2-8,11,14,16H,9-10,12-13,26H2,1H3,(H,28,29,30)/t14-,16+,24-/m1/s1
• InChIKey: SKBSITNGUOXVCW-BEWRWRNKSA-N
• XLogP: 2.21
• TPSA: 105.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one?

The IUPAC name of 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one (CID 164860989) is 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one.

What is the SMILES notation for 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one?

The canonical SMILES for 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one is Cn1c(-c2[nH]nc3nc(N4CC[C@@H]5[C@H](C4)[C@@]5(CN)c4ccccc4F)cnc23)cccc1=O.

What is the InChIKey of 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one?

The InChIKey is SKBSITNGUOXVCW-BEWRWRNKSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-31-18(7-4-8-20(31)33)21-22-23(30-29-21)28-19(11-27-22)32-10-9-14-16(12-32)24(14,13-26)15-5-2-3-6-17(15)25/h2-8,11,14,16H,9-10,12-13,26H2,1H3,(H,28,29,30)/t14-,16+,24-/m1/s1.

What are the key properties of 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one?

6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one has a molecular weight of 445.50 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 164860989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).