(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone

C₂₈H₂₅BrN₈O₅ — CID 68728437

About (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone

(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone (PubChem CID 68728437) has the molecular formula C₂₈H₂₅BrN₈O₅ and a molecular weight of 633.46 g/mol. Its IUPAC name is (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone.

Molecular Properties

• Compound Name: (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone
• PubChem CID: 68728437
• Molecular Formula: C₂₈H₂₅BrN₈O₅
• Molecular Weight: 633.46 g/mol
• Exact Mass: 632.11
• IUPAC Name: (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone
• SMILES: CC(=O)c1cnn2ccc(Br)cc12.CC(=O)c1cnn2ccc(N)cc12.CC(=O)c1cnn2ccc(NC(=O)O)cc12
• InChI: InChI=1S/C10H9N3O3.C9H7BrN2O.C9H9N3O/c1-6(14)8-5-11-13-3-2-7(4-9(8)13)12-10(15)16;2*1-6(13)8-5-11-12-3-2-7(10)4-9(8)12/h2-5,12H,1H3,(H,15,16);2-5H,1H3;2-5H,10H2,1H3
• InChIKey: RLKDEAZLVODXIX-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 178.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	633.46
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone?

The IUPAC name of (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone (CID 68728437) is (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone.

What is the SMILES notation for (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone?

The canonical SMILES for (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone is CC(=O)c1cnn2ccc(Br)cc12.CC(=O)c1cnn2ccc(N)cc12.CC(=O)c1cnn2ccc(NC(=O)O)cc12.

What is the InChIKey of (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone?

The InChIKey is RLKDEAZLVODXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3.C9H7BrN2O.C9H9N3O/c1-6(14)8-5-11-13-3-2-7(4-9(8)13)12-10(15)16;2*1-6(13)8-5-11-12-3-2-7(10)4-9(8)12/h2-5,12H,1H3,(H,15,16);2-5H,1H3;2-5H,10H2,1H3.

What are the key properties of (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone?

(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone has a molecular weight of 633.46 g/mol, XLogP of 5.05, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 68728437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 68728437 — identifiers, structure, computed properties (public domain)

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