(3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol

C17H19N5O — CID 95723078

IUPAC(3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol
SMILESCc1nc(N2CC[C@@](O)(c3ccccc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H19N5O/c1-12-19-15-14(10-18-21(15)2)16(20-12)22-9-8-17(23,11-22)13-6-4-3-5-7-13/h3-7,10,23H,8-9,11H2,1-2H3/t17-/m0/s1
InChIKeyYOVRVTIQHONCJT-KRWDZBQOSA-N
MW309.37 g/mol
LogP1.77
Rot. Bonds2

About (3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol

(3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol (PubChem CID 95723078) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol
PubChem CID95723078
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol
SMILESCc1nc(N2CC[C@@](O)(c3ccccc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H19N5O/c1-12-19-15-14(10-18-21(15)2)16(20-12)22-9-8-17(23,11-22)13-6-4-3-5-7-13/h3-7,10,23H,8-9,11H2,1-2H3/t17-/m0/s1
InChIKeyYOVRVTIQHONCJT-KRWDZBQOSA-N
XLogP1.77
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol (CID 95723078) is (3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol is Cc1nc(N2CC[C@@](O)(c3ccccc3)C2)c2cnn(C)c2n1.
What is the InChIKey of (3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol?
The InChIKey is YOVRVTIQHONCJT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-19-15-14(10-18-21(15)2)16(20-12)22-9-8-17(23,11-22)13-6-4-3-5-7-13/h3-7,10,23H,8-9,11H2,1-2H3/t17-/m0/s1.
What are the key properties of (3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol?
(3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol has a molecular weight of 309.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 95723078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).