1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

C9H12N4 — CID 7131393

IUPAC1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(N)cnc21
InChIInChI=1S/C9H12N4/c1-6(2)13-9-7(4-12-13)3-8(10)5-11-9/h3-6H,10H2,1-2H3
InChIKeyPMEOZFOGPJEHHE-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.59
Rot. Bonds1

About 1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (PubChem CID 7131393) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
PubChem CID7131393
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(N)cnc21
InChIInChI=1S/C9H12N4/c1-6(2)13-9-7(4-12-13)3-8(10)5-11-9/h3-6H,10H2,1-2H3
InChIKeyPMEOZFOGPJEHHE-UHFFFAOYSA-N
XLogP1.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (CID 7131393) is 1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is CC(C)n1ncc2cc(N)cnc21.
What is the InChIKey of 1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is PMEOZFOGPJEHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(2)13-9-7(4-12-13)3-8(10)5-11-9/h3-6H,10H2,1-2H3.
What are the key properties of 1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 176.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 7131393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).