[(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol

C12H16FN5O — CID 128979652

IUPAC[(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESCc1nc(N2C[C@@H](F)C[C@H]2CO)c2cnn(C)c2n1
InChIInChI=1S/C12H16FN5O/c1-7-15-11-10(4-14-17(11)2)12(16-7)18-5-8(13)3-9(18)6-19/h4,8-9,19H,3,5-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyCUNCHWKGJFFRTI-IUCAKERBSA-N
MW265.29 g/mol
LogP0.58
Rot. Bonds2

About [(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128979652) has the molecular formula C12H16FN5O and a molecular weight of 265.29 g/mol. Its IUPAC name is [(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128979652
Molecular FormulaC12H16FN5O
Molecular Weight265.29 g/mol
Exact Mass265.13
IUPAC Name[(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESCc1nc(N2C[C@@H](F)C[C@H]2CO)c2cnn(C)c2n1
InChIInChI=1S/C12H16FN5O/c1-7-15-11-10(4-14-17(11)2)12(16-7)18-5-8(13)3-9(18)6-19/h4,8-9,19H,3,5-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyCUNCHWKGJFFRTI-IUCAKERBSA-N
XLogP0.58
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol (CID 128979652) is [(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol is Cc1nc(N2C[C@@H](F)C[C@H]2CO)c2cnn(C)c2n1.
What is the InChIKey of [(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is CUNCHWKGJFFRTI-IUCAKERBSA-N. The full InChI is InChI=1S/C12H16FN5O/c1-7-15-11-10(4-14-17(11)2)12(16-7)18-5-8(13)3-9(18)6-19/h4,8-9,19H,3,5-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of [(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 265.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).