(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

IUPAC(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
SMILESCC(=O)c1cnn2ccc(Br)cc12.CC(=O)c1cnn2ccc(N)cc12.CC(=O)c1cnn2ccc(NC(=O)O)cc12
InChIInChI=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
InChIKeyRLKDEAZLVODXIX-UHFFFAOYSA-N
MW633.46 g/mol
LogP5.05
Rot. Bonds4

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 CID68728437
Molecular FormulaC28H25BrN8O5
Molecular Weight633.46 g/mol
Exact Mass632.11
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
SMILESCC(=O)c1cnn2ccc(Br)cc12.CC(=O)c1cnn2ccc(N)cc12.CC(=O)c1cnn2ccc(NC(=O)O)cc12
InChIInChI=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
InChIKeyRLKDEAZLVODXIX-UHFFFAOYSA-N
XLogP5.05
TPSA178.46 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500633.46
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).