5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde

C13H13N5O2 — CID 24905158

IUPAC5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde
SMILESCC(C)n1nc(-c2cc(C=O)co2)c2c(N)ncnc21
InChIInChI=1S/C13H13N5O2/c1-7(2)18-13-10(12(14)15-6-16-13)11(17-18)9-3-8(4-19)5-20-9/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyCDJSZJDGHKEHCW-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.06
Rot. Bonds3

About 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde

5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde (PubChem CID 24905158) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde
PubChem CID24905158
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde
SMILESCC(C)n1nc(-c2cc(C=O)co2)c2c(N)ncnc21
InChIInChI=1S/C13H13N5O2/c1-7(2)18-13-10(12(14)15-6-16-13)11(17-18)9-3-8(4-19)5-20-9/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyCDJSZJDGHKEHCW-UHFFFAOYSA-N
XLogP2.06
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde?
The IUPAC name of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde (CID 24905158) is 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde.
What is the SMILES notation for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde?
The canonical SMILES for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde is CC(C)n1nc(-c2cc(C=O)co2)c2c(N)ncnc21.
What is the InChIKey of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde?
The InChIKey is CDJSZJDGHKEHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-7(2)18-13-10(12(14)15-6-16-13)11(17-18)9-3-8(4-19)5-20-9/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde?
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde has a molecular weight of 271.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)furan-3-carbaldehyde is sourced from PubChem (CID 24905158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).