2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C24H24F3N7O — CID 126641759

About 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 126641759) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 126641759
• Molecular Formula: C24H24F3N7O
• Molecular Weight: 483.50 g/mol
• Exact Mass: 483.20
• IUPAC Name: 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: O=C(CN1CC2CC(C1)N2c1ccccn1)N1CCc2nn(-c3ccc(C(F)(F)F)cn3)cc2C1
• InChI: InChI=1S/C24H24F3N7O/c25-24(26,27)17-4-5-21(29-10-17)33-12-16-11-32(8-6-20(16)30-33)23(35)15-31-13-18-9-19(14-31)34(18)22-3-1-2-7-28-22/h1-5,7,10,12,18-19H,6,8-9,11,13-15H2
• InChIKey: BRPPOZPBQOMUAK-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 70.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.50
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 126641759) is 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is O=C(CN1CC2CC(C1)N2c1ccccn1)N1CCc2nn(-c3ccc(C(F)(F)F)cn3)cc2C1.

What is the InChIKey of 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is BRPPOZPBQOMUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O/c25-24(26,27)17-4-5-21(29-10-17)33-12-16-11-32(8-6-20(16)30-33)23(35)15-31-13-18-9-19(14-31)34(18)22-3-1-2-7-28-22/h1-5,7,10,12,18-19H,6,8-9,11,13-15H2.

What are the key properties of 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 483.50 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-pyridin-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 126641759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).