2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide

C26H22N4O2 — CID 126601505

IUPAC2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1nc2c(-c3ccncc3)cccc2c1C#CC1CC1
InChIInChI=1S/C26H22N4O2/c31-26(29-32)24(17-19-5-2-1-3-6-19)30-23(12-11-18-9-10-18)22-8-4-7-21(25(22)28-30)20-13-15-27-16-14-20/h1-8,13-16,18,24,32H,9-10,17H2,(H,29,31)
InChIKeyNDSIQRFNFIYMSR-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.15
Rot. Bonds5

About 2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide

2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide (PubChem CID 126601505) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide
PubChem CID126601505
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1nc2c(-c3ccncc3)cccc2c1C#CC1CC1
InChIInChI=1S/C26H22N4O2/c31-26(29-32)24(17-19-5-2-1-3-6-19)30-23(12-11-18-9-10-18)22-8-4-7-21(25(22)28-30)20-13-15-27-16-14-20/h1-8,13-16,18,24,32H,9-10,17H2,(H,29,31)
InChIKeyNDSIQRFNFIYMSR-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'}

Analyze 2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide 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

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
2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide
CID 126601366
2-[7-[[cyclopropyl(methyl)amino]methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide
CID 126601465
N-hydroxy-3-phenyl-2-(5-phenylindazol-1-yl)propanamide
CID 126601527
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-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214013
2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide
CID 126601539
(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 86285465
N-hydroxy-3-phenyl-2-(8-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 126601579
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide (CID 126601505) is 2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide is O=C(NO)C(Cc1ccccc1)n1nc2c(-c3ccncc3)cccc2c1C#CC1CC1.
What is the InChIKey of 2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The InChIKey is NDSIQRFNFIYMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-26(29-32)24(17-19-5-2-1-3-6-19)30-23(12-11-18-9-10-18)22-8-4-7-21(25(22)28-30)20-13-15-27-16-14-20/h1-8,13-16,18,24,32H,9-10,17H2,(H,29,31).
What are the key properties of 2-[3-(2-cyclopropylethynyl)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide?
2-[3-(2-cyclopropylethynyl)-7-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)-7-pyridin-4-ylindazol-2-yl]-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 126601505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).