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

C20H22N4O2 — CID 126601395

IUPAC2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1cc2cccc(CNC3CC3)c2n1
InChIInChI=1S/C20H22N4O2/c25-20(23-26)18(11-14-5-2-1-3-6-14)24-13-16-8-4-7-15(19(16)22-24)12-21-17-9-10-17/h1-8,13,17-18,21,26H,9-12H2,(H,23,25)
InChIKeyJJDBFMLBJYVHQD-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.58
Rot. Bonds7

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

2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide (PubChem CID 126601395) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide
PubChem CID126601395
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1cc2cccc(CNC3CC3)c2n1
InChIInChI=1S/C20H22N4O2/c25-20(23-26)18(11-14-5-2-1-3-6-14)24-13-16-8-4-7-15(19(16)22-24)12-21-17-9-10-17/h1-8,13,17-18,21,26H,9-12H2,(H,23,25)
InChIKeyJJDBFMLBJYVHQD-UHFFFAOYSA-N
XLogP2.58
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.58
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide (CID 126601395) is 2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide is O=C(NO)C(Cc1ccccc1)n1cc2cccc(CNC3CC3)c2n1.
What is the InChIKey of 2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The InChIKey is JJDBFMLBJYVHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(23-26)18(11-14-5-2-1-3-6-14)24-13-16-8-4-7-15(19(16)22-24)12-21-17-9-10-17/h1-8,13,17-18,21,26H,9-12H2,(H,23,25).
What are the key properties of 2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(cyclopropylamino)methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 126601395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).