5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol

C20H15F2N5O — CID 118025701

About 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol

5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol (PubChem CID 118025701) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol.

Molecular Properties

• Compound Name: 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
• PubChem CID: 118025701
• Molecular Formula: C20H15F2N5O
• Molecular Weight: 379.37 g/mol
• Exact Mass: 379.12
• IUPAC Name: 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
• SMILES: Nc1ncnc2c1c(-c1cc(O)c(F)c(F)c1)nn2C1CCc2ccccc21
• InChI: InChI=1S/C20H15F2N5O/c21-13-7-11(8-15(28)17(13)22)18-16-19(23)24-9-25-20(16)27(26-18)14-6-5-10-3-1-2-4-12(10)14/h1-4,7-9,14,28H,5-6H2,(H2,23,24,25)
• InChIKey: ZYYPAKWNOAVIAD-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 89.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.37
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol?

The IUPAC name of 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol (CID 118025701) is 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol.

What is the SMILES notation for 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol?

The canonical SMILES for 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol is Nc1ncnc2c1c(-c1cc(O)c(F)c(F)c1)nn2C1CCc2ccccc21.

What is the InChIKey of 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol?

The InChIKey is ZYYPAKWNOAVIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c21-13-7-11(8-15(28)17(13)22)18-16-19(23)24-9-25-20(16)27(26-18)14-6-5-10-3-1-2-4-12(10)14/h1-4,7-9,14,28H,5-6H2,(H2,23,24,25).

What are the key properties of 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol?

5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol has a molecular weight of 379.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol is sourced from PubChem (CID 118025701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).