3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H23N7O — CID 139331005

IUPAC3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cnn(C2CCCCO2)c1-c1nn(C(C)C)c2ncnc(N)c12
InChIInChI=1S/C17H23N7O/c1-10(2)23-17-13(16(18)19-9-20-17)14(22-23)15-11(3)8-21-24(15)12-6-4-5-7-25-12/h8-10,12H,4-7H2,1-3H3,(H2,18,19,20)
InChIKeyCSSZYBGBDZPYBA-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.86
Rot. Bonds3

About 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 139331005) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID139331005
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cnn(C2CCCCO2)c1-c1nn(C(C)C)c2ncnc(N)c12
InChIInChI=1S/C17H23N7O/c1-10(2)23-17-13(16(18)19-9-20-17)14(22-23)15-11(3)8-21-24(15)12-6-4-5-7-25-12/h8-10,12H,4-7H2,1-3H3,(H2,18,19,20)
InChIKeyCSSZYBGBDZPYBA-UHFFFAOYSA-N
XLogP2.86
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 139331005) is 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cnn(C2CCCCO2)c1-c1nn(C(C)C)c2ncnc(N)c12.
What is the InChIKey of 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CSSZYBGBDZPYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-10(2)23-17-13(16(18)19-9-20-17)14(22-23)15-11(3)8-21-24(15)12-6-4-5-7-25-12/h8-10,12H,4-7H2,1-3H3,(H2,18,19,20).
What are the key properties of 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 139331005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).