[(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol

C11H15FN6O — CID 128979601

IUPAC[(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESCn1ncc2c(N)nc(N3C[C@@H](F)C[C@H]3CO)nc21
InChIInChI=1S/C11H15FN6O/c1-17-10-8(3-14-17)9(13)15-11(16-10)18-4-6(12)2-7(18)5-19/h3,6-7,19H,2,4-5H2,1H3,(H2,13,15,16)/t6-,7-/m0/s1
InChIKeyDHPHPRBWHPYJAZ-BQBZGAKWSA-N
MW266.28 g/mol
LogP-0.15
Rot. Bonds2

About [(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128979601) has the molecular formula C11H15FN6O and a molecular weight of 266.28 g/mol. Its IUPAC name is [(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128979601
Molecular FormulaC11H15FN6O
Molecular Weight266.28 g/mol
Exact Mass266.13
IUPAC Name[(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESCn1ncc2c(N)nc(N3C[C@@H](F)C[C@H]3CO)nc21
InChIInChI=1S/C11H15FN6O/c1-17-10-8(3-14-17)9(13)15-11(16-10)18-4-6(12)2-7(18)5-19/h3,6-7,19H,2,4-5H2,1H3,(H2,13,15,16)/t6-,7-/m0/s1
InChIKeyDHPHPRBWHPYJAZ-BQBZGAKWSA-N
XLogP-0.15
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol (CID 128979601) is [(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol is Cn1ncc2c(N)nc(N3C[C@@H](F)C[C@H]3CO)nc21.
What is the InChIKey of [(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is DHPHPRBWHPYJAZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H15FN6O/c1-17-10-8(3-14-17)9(13)15-11(16-10)18-4-6(12)2-7(18)5-19/h3,6-7,19H,2,4-5H2,1H3,(H2,13,15,16)/t6-,7-/m0/s1.
What are the key properties of [(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 266.28 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).