1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

C16H22N8O — CID 128969626

IUPAC1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)(c3cn(C(C)C)nn3)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H22N8O/c1-10(2)24-8-13(20-21-24)16(25)5-6-23(9-16)15-12-7-17-22(4)14(12)18-11(3)19-15/h7-8,10,25H,5-6,9H2,1-4H3
InChIKeyMCMOHUWCKDPLIH-UHFFFAOYSA-N
MW342.41 g/mol
LogP0.94
Rot. Bonds3

About 1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (PubChem CID 128969626) has the molecular formula C16H22N8O and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
PubChem CID128969626
Molecular FormulaC16H22N8O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)(c3cn(C(C)C)nn3)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H22N8O/c1-10(2)24-8-13(20-21-24)16(25)5-6-23(9-16)15-12-7-17-22(4)14(12)18-11(3)19-15/h7-8,10,25H,5-6,9H2,1-4H3
InChIKeyMCMOHUWCKDPLIH-UHFFFAOYSA-N
XLogP0.94
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (CID 128969626) is 1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is Cc1nc(N2CCC(O)(c3cn(C(C)C)nn3)C2)c2cnn(C)c2n1.
What is the InChIKey of 1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The InChIKey is MCMOHUWCKDPLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O/c1-10(2)24-8-13(20-21-24)16(25)5-6-23(9-16)15-12-7-17-22(4)14(12)18-11(3)19-15/h7-8,10,25H,5-6,9H2,1-4H3.
What are the key properties of 1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol has a molecular weight of 342.41 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 128969626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).