[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

C17H15N3O3 — CID 2630767

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESC[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3O3/c1-11(16(21)18-12-7-3-2-4-8-12)23-17(22)15-13-9-5-6-10-14(13)19-20-15/h2-11H,1H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyCTFXOZJOQIYSBM-LLVKDONJSA-N
MW309.33 g/mol
LogP2.75
Rot. Bonds4

About [(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (PubChem CID 2630767) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
PubChem CID2630767
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESC[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3O3/c1-11(16(21)18-12-7-3-2-4-8-12)23-17(22)15-13-9-5-6-10-14(13)19-20-15/h2-11H,1H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyCTFXOZJOQIYSBM-LLVKDONJSA-N
XLogP2.75
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2636114
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2651718
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 1H-indazole-3-carboxylate
CID 7956494
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 1H-indazole-3-carboxylate
CID 25356137
[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 1H-indazole-3-carboxylate
CID 45356093
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372567
(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate
CID 16578204
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630737
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372635
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630770
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8024179
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 42885407

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (CID 2630767) is [(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccccc1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The InChIKey is CTFXOZJOQIYSBM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11(16(21)18-12-7-3-2-4-8-12)23-17(22)15-13-9-5-6-10-14(13)19-20-15/h2-11H,1H3,(H,18,21)(H,19,20)/t11-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2630767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).