3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol

C15H17N5O2 — CID 3569216

IUPAC3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCOc1ccc(-n2ncc3c(NCCCO)ncnc32)cc1
InChIInChI=1S/C15H17N5O2/c1-22-12-5-3-11(4-6-12)20-15-13(9-19-20)14(17-10-18-15)16-7-2-8-21/h3-6,9-10,21H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyIZLQCTYMASADFY-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.62
Rot. Bonds6

About 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol

3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 3569216) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
PubChem CID3569216
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCOc1ccc(-n2ncc3c(NCCCO)ncnc32)cc1
InChIInChI=1S/C15H17N5O2/c1-22-12-5-3-11(4-6-12)20-15-13(9-19-20)14(17-10-18-15)16-7-2-8-21/h3-6,9-10,21H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyIZLQCTYMASADFY-UHFFFAOYSA-N
XLogP1.62
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol (CID 3569216) is 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol is COc1ccc(-n2ncc3c(NCCCO)ncnc32)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is IZLQCTYMASADFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-22-12-5-3-11(4-6-12)20-15-13(9-19-20)14(17-10-18-15)16-7-2-8-21/h3-6,9-10,21H,2,7-8H2,1H3,(H,16,17,18).
What are the key properties of 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol?
3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 299.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 3569216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).