2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide

C26H22N4O2 — CID 126601426

IUPAC2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1nc2ccc(-c3ccncc3)cc2c1C#CC1CC1
InChIInChI=1S/C26H22N4O2/c31-26(29-32)25(16-19-4-2-1-3-5-19)30-24(11-8-18-6-7-18)22-17-21(9-10-23(22)28-30)20-12-14-27-15-13-20/h1-5,9-10,12-15,17-18,25,32H,6-7,16H2,(H,29,31)
InChIKeyXFRGLHZZINORMF-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.15
Rot. Bonds5

About 2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide

2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide (PubChem CID 126601426) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide
PubChem CID126601426
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1nc2ccc(-c3ccncc3)cc2c1C#CC1CC1
InChIInChI=1S/C26H22N4O2/c31-26(29-32)25(16-19-4-2-1-3-5-19)30-24(11-8-18-6-7-18)22-17-21(9-10-23(22)28-30)20-12-14-27-15-13-20/h1-5,9-10,12-15,17-18,25,32H,6-7,16H2,(H,29,31)
InChIKeyXFRGLHZZINORMF-UHFFFAOYSA-N
XLogP4.15
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[3-(2-cyclopropylethynyl)-2-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-5-yl]benzamide
CID 126601599
2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide
CID 126601505
2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide
CID 126601366
N-hydroxy-3-phenyl-2-(5-phenylindazol-1-yl)propanamide
CID 126601527
2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide
CID 126601539
2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 76587033
2-(5-fluoroindazol-2-yl)-N-hydroxy-3-phenylpropanamide
CID 155883738
N-hydroxy-3-phenyl-2-(5-pyrimidin-5-ylpyrazolo[4,5-b]pyridin-1-yl)propanamide
CID 126601596
N-hydroxy-2-(5-methylpyrazolo[4,5-b]pyridin-1-yl)-3-phenylpropanamide
CID 126601422
2-[7-[[cyclopropyl(methyl)amino]methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide
CID 126601465
2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;bis(2,2,2-trifluoroacetic acid)
CID 117074853
N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide
CID 87413146

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide (CID 126601426) is 2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide is O=C(NO)C(Cc1ccccc1)n1nc2ccc(-c3ccncc3)cc2c1C#CC1CC1.
What is the InChIKey of 2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The InChIKey is XFRGLHZZINORMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-26(29-32)25(16-19-4-2-1-3-5-19)30-24(11-8-18-6-7-18)22-17-21(9-10-23(22)28-30)20-12-14-27-15-13-20/h1-5,9-10,12-15,17-18,25,32H,6-7,16H2,(H,29,31).
What are the key properties of 2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide?
2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide has a molecular weight of 422.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclopropylethynyl)-5-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 126601426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).