(3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol

C15H22N6O — CID 56905786

IUPAC(3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol
SMILESCc1nc(N2C[C@H](O)[C@@H](N3CCCC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-10-17-14-11(7-16-19(14)2)15(18-10)21-8-12(13(22)9-21)20-5-3-4-6-20/h7,12-13,22H,3-6,8-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyGJQOGJGOGPMIGE-STQMWFEESA-N
MW302.38 g/mol
LogP0.32
Rot. Bonds2

About (3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol

(3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol (PubChem CID 56905786) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol
PubChem CID56905786
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol
SMILESCc1nc(N2C[C@H](O)[C@@H](N3CCCC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-10-17-14-11(7-16-19(14)2)15(18-10)21-8-12(13(22)9-21)20-5-3-4-6-20/h7,12-13,22H,3-6,8-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyGJQOGJGOGPMIGE-STQMWFEESA-N
XLogP0.32
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol (CID 56905786) is (3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol is Cc1nc(N2C[C@H](O)[C@@H](N3CCCC3)C2)c2cnn(C)c2n1.
What is the InChIKey of (3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol?
The InChIKey is GJQOGJGOGPMIGE-STQMWFEESA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-17-14-11(7-16-19(14)2)15(18-10)21-8-12(13(22)9-21)20-5-3-4-6-20/h7,12-13,22H,3-6,8-9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol?
(3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol has a molecular weight of 302.38 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol is sourced from PubChem (CID 56905786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).