5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol

C30H27FN6O — CID 75223633

About 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol

5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol (PubChem CID 75223633) has the molecular formula C30H27FN6O and a molecular weight of 506.59 g/mol. Its IUPAC name is 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol.

Molecular Properties

• Compound Name: 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
• PubChem CID: 75223633
• Molecular Formula: C30H27FN6O
• Molecular Weight: 506.59 g/mol
• Exact Mass: 506.22
• IUPAC Name: 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
• SMILES: CCN1CC2CC1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c(O)c4)c(-c4ccncc4)nn23)cc1
• InChI: InChI=1S/C30H27FN6O/c1-2-35-17-24-16-23(35)18-36(24)22-6-3-19(4-7-22)26-11-14-33-30-28(21-5-8-25(31)27(38)15-21)29(34-37(26)30)20-9-12-32-13-10-20/h3-15,23-24,38H,2,16-18H2,1H3
• InChIKey: FBJYRNGBDFBGRM-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 69.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.59
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol?

The IUPAC name of 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol (CID 75223633) is 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol.

What is the SMILES notation for 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol?

The canonical SMILES for 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol is CCN1CC2CC1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c(O)c4)c(-c4ccncc4)nn23)cc1.

What is the InChIKey of 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol?

The InChIKey is FBJYRNGBDFBGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O/c1-2-35-17-24-16-23(35)18-36(24)22-6-3-19(4-7-22)26-11-14-33-30-28(21-5-8-25(31)27(38)15-21)29(34-37(26)30)20-9-12-32-13-10-20/h3-15,23-24,38H,2,16-18H2,1H3.

What are the key properties of 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol?

5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol has a molecular weight of 506.59 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[4-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol is sourced from PubChem (CID 75223633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).