2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide

C21H19N3O2 — CID 126601366

IUPAC2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1cc2cccc(C#CC3CC3)c2n1
InChIInChI=1S/C21H19N3O2/c25-21(23-26)19(13-16-5-2-1-3-6-16)24-14-18-8-4-7-17(20(18)22-24)12-11-15-9-10-15/h1-8,14-15,19,26H,9-10,13H2,(H,23,25)
InChIKeyVOCDSBICNVNLPX-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.09
Rot. Bonds4

About 2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide

2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide (PubChem CID 126601366) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide
PubChem CID126601366
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1cc2cccc(C#CC3CC3)c2n1
InChIInChI=1S/C21H19N3O2/c25-21(23-26)19(13-16-5-2-1-3-6-16)24-14-18-8-4-7-17(20(18)22-24)12-11-15-9-10-15/h1-8,14-15,19,26H,9-10,13H2,(H,23,25)
InChIKeyVOCDSBICNVNLPX-UHFFFAOYSA-N
XLogP3.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[7-[[cyclopropyl(methyl)amino]methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide
CID 126601465
2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide
CID 126601505
2-(5-fluoroindazol-2-yl)-N-hydroxy-3-phenylpropanamide
CID 155883738
2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide
CID 126601426
4-[3-(2-cyclopropylethynyl)-2-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-5-yl]benzamide
CID 126601599
1-(2-cyclopropylethynyl)-2-ethylbenzene
CID 130055738
2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide
CID 155883748
N-hydroxy-2-(5-methylpyrazolo[4,5-b]pyridin-1-yl)-3-phenylpropanamide
CID 126601422
2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide
CID 126601539
N-hydroxy-3-phenyl-2-(5-phenylindazol-1-yl)propanamide
CID 126601527
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
N-hydroxy-3-phenyl-2-(5-pyrimidin-5-ylpyrazolo[4,5-b]pyridin-1-yl)propanamide
CID 126601596

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide (CID 126601366) is 2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide is O=C(NO)C(Cc1ccccc1)n1cc2cccc(C#CC3CC3)c2n1.
What is the InChIKey of 2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The InChIKey is VOCDSBICNVNLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-21(23-26)19(13-16-5-2-1-3-6-16)24-14-18-8-4-7-17(20(18)22-24)12-11-15-9-10-15/h1-8,14-15,19,26H,9-10,13H2,(H,23,25).
What are the key properties of 2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide has a molecular weight of 345.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 126601366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).