2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide

C23H18N4O2 — CID 126601539

IUPAC2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide
SMILESN#Cc1ccc(-c2ccc3c(cnn3C(Cc3ccccc3)C(=O)NO)c2)cc1
InChIInChI=1S/C23H18N4O2/c24-14-17-6-8-18(9-7-17)19-10-11-21-20(13-19)15-25-27(21)22(23(28)26-29)12-16-4-2-1-3-5-16/h1-11,13,15,22,29H,12H2,(H,26,28)
InChIKeyJVGSGXDWTZDZRL-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.86
Rot. Bonds5

About 2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide

2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide (PubChem CID 126601539) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide
PubChem CID126601539
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide
SMILESN#Cc1ccc(-c2ccc3c(cnn3C(Cc3ccccc3)C(=O)NO)c2)cc1
InChIInChI=1S/C23H18N4O2/c24-14-17-6-8-18(9-7-17)19-10-11-21-20(13-19)15-25-27(21)22(23(28)26-29)12-16-4-2-1-3-5-16/h1-11,13,15,22,29H,12H2,(H,26,28)
InChIKeyJVGSGXDWTZDZRL-UHFFFAOYSA-N
XLogP3.86
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.86
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'}

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Related Compounds

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
1-[3-(methylamino)-1-phenylpropyl]indazole-5-carbonitrile
CID 67266662
methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate
CID 140901178
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-(5-fluoroindazol-2-yl)-N-hydroxy-3-phenylpropanamide
CID 155883738
3-amino-2-indazol-1-ylpropanoic acid
CID 64694825
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916
N-(5-cyano-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107027948
3-[1-[4-(4-cyanophenyl)phenyl]triazol-4-yl]-N-methyl-2-[(2-phenylacetyl)amino]propanamide
CID 177379103

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide (CID 126601539) is 2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide is N#Cc1ccc(-c2ccc3c(cnn3C(Cc3ccccc3)C(=O)NO)c2)cc1.
What is the InChIKey of 2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide?
The InChIKey is JVGSGXDWTZDZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c24-14-17-6-8-18(9-7-17)19-10-11-21-20(13-19)15-25-27(21)22(23(28)26-29)12-16-4-2-1-3-5-16/h1-11,13,15,22,29H,12H2,(H,26,28).
What are the key properties of 2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide?
2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide has a molecular weight of 382.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 126601539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).