4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol

C14H13F2N5O — CID 135947974

IUPAC4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol
SMILESCC(C)n1nc(-c2cc(F)c(O)cc2F)c2c(N)ncnc21
InChIInChI=1S/C14H13F2N5O/c1-6(2)21-14-11(13(17)18-5-19-14)12(20-21)7-3-9(16)10(22)4-8(7)15/h3-6,22H,1-2H3,(H2,17,18,19)
InChIKeyDYEJYFAQYRMVFS-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.64
Rot. Bonds2

About 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol

4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol (PubChem CID 135947974) has the molecular formula C14H13F2N5O and a molecular weight of 305.29 g/mol. Its IUPAC name is 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol.

Molecular Properties

Compound Name4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol
PubChem CID135947974
Molecular FormulaC14H13F2N5O
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol
SMILESCC(C)n1nc(-c2cc(F)c(O)cc2F)c2c(N)ncnc21
InChIInChI=1S/C14H13F2N5O/c1-6(2)21-14-11(13(17)18-5-19-14)12(20-21)7-3-9(16)10(22)4-8(7)15/h3-6,22H,1-2H3,(H2,17,18,19)
InChIKeyDYEJYFAQYRMVFS-UHFFFAOYSA-N
XLogP2.64
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol?
The IUPAC name of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol (CID 135947974) is 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol.
What is the SMILES notation for 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol?
The canonical SMILES for 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol is CC(C)n1nc(-c2cc(F)c(O)cc2F)c2c(N)ncnc21.
What is the InChIKey of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol?
The InChIKey is DYEJYFAQYRMVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O/c1-6(2)21-14-11(13(17)18-5-19-14)12(20-21)7-3-9(16)10(22)4-8(7)15/h3-6,22H,1-2H3,(H2,17,18,19).
What are the key properties of 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol?
4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol has a molecular weight of 305.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2,5-difluorophenol is sourced from PubChem (CID 135947974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).