5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol

C15H15FN6O — CID 24905309

IUPAC5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2[C@H]1CCNC1
InChIInChI=1S/C15H15FN6O/c16-10-2-1-8(5-11(10)23)13-12-14(17)19-7-20-15(12)22(21-13)9-3-4-18-6-9/h1-2,5,7,9,18,23H,3-4,6H2,(H2,17,19,20)/t9-/m0/s1
InChIKeyFHNLPTRXVQOXQO-VIFPVBQESA-N
MW314.32 g/mol
LogP1.45
Rot. Bonds2

About 5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol

5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (PubChem CID 24905309) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
PubChem CID24905309
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2[C@H]1CCNC1
InChIInChI=1S/C15H15FN6O/c16-10-2-1-8(5-11(10)23)13-12-14(17)19-7-20-15(12)22(21-13)9-3-4-18-6-9/h1-2,5,7,9,18,23H,3-4,6H2,(H2,17,19,20)/t9-/m0/s1
InChIKeyFHNLPTRXVQOXQO-VIFPVBQESA-N
XLogP1.45
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The IUPAC name of 5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (CID 24905309) is 5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.
What is the SMILES notation for 5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The canonical SMILES for 5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2[C@H]1CCNC1.
What is the InChIKey of 5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The InChIKey is FHNLPTRXVQOXQO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15FN6O/c16-10-2-1-8(5-11(10)23)13-12-14(17)19-7-20-15(12)22(21-13)9-3-4-18-6-9/h1-2,5,7,9,18,23H,3-4,6H2,(H2,17,19,20)/t9-/m0/s1.
What are the key properties of 5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol has a molecular weight of 314.32 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-1-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is sourced from PubChem (CID 24905309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).