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

C23H19F2N5O — CID 166787652

IUPAC5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
SMILESNc1ncnc2c1c(-c1cc(O)c(F)c(F)c1)nn2C1CC1C1CCc2ccccc21
InChIInChI=1S/C23H19F2N5O/c24-16-7-12(8-18(31)20(16)25)21-19-22(26)27-10-28-23(19)30(29-21)17-9-15(17)14-6-5-11-3-1-2-4-13(11)14/h1-4,7-8,10,14-15,17,31H,5-6,9H2,(H2,26,27,28)
InChIKeyAERZOBPFZDKGLE-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.35
Rot. Bonds3

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

5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol (PubChem CID 166787652) has the molecular formula C23H19F2N5O and a molecular weight of 419.44 g/mol. Its IUPAC name is 5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol.

Molecular Properties

Compound Name5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
PubChem CID166787652
Molecular FormulaC23H19F2N5O
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
SMILESNc1ncnc2c1c(-c1cc(O)c(F)c(F)c1)nn2C1CC1C1CCc2ccccc21
InChIInChI=1S/C23H19F2N5O/c24-16-7-12(8-18(31)20(16)25)21-19-22(26)27-10-28-23(19)30(29-21)17-9-15(17)14-6-5-11-3-1-2-4-13(11)14/h1-4,7-8,10,14-15,17,31H,5-6,9H2,(H2,26,27,28)
InChIKeyAERZOBPFZDKGLE-UHFFFAOYSA-N
XLogP4.35
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
CID 118025701
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
CID 118025928
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-fluoro-2-(trifluoromethyl)phenol
CID 118034601
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
CID 118025676
1-[3-[4-amino-3-(3,4-difluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 118026052
3-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118025680
2-[4-amino-3-(4-chloro-3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2,3-dihydro-1H-inden-1-ol
CID 118025024
3-amino-5-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 118025994
3-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]benzamide
CID 118025879
5-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenol
CID 118026255
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol
CID 118026010
3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118025577

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol?
The IUPAC name of 5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol (CID 166787652) is 5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol.
What is the SMILES notation for 5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol?
The canonical SMILES for 5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol is Nc1ncnc2c1c(-c1cc(O)c(F)c(F)c1)nn2C1CC1C1CCc2ccccc21.
What is the InChIKey of 5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol?
The InChIKey is AERZOBPFZDKGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O/c24-16-7-12(8-18(31)20(16)25)21-19-22(26)27-10-28-23(19)30(29-21)17-9-15(17)14-6-5-11-3-1-2-4-13(11)14/h1-4,7-8,10,14-15,17,31H,5-6,9H2,(H2,26,27,28).
What are the key properties of 5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol?
5-[4-amino-1-[2-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol has a molecular weight of 419.44 g/mol, XLogP of 4.35, 3 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-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol is sourced from PubChem (CID 166787652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).