2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide

C25H23N5O2 — CID 126601388

IUPAC2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide
SMILESCn1nccc1-c1ccc2nn(C(Cc3ccccc3)C(=O)NO)c(C#CC3CC3)c2c1
InChIInChI=1S/C25H23N5O2/c1-29-22(13-14-26-29)19-10-11-21-20(16-19)23(12-9-17-7-8-17)30(27-21)24(25(31)28-32)15-18-5-3-2-4-6-18/h2-6,10-11,13-14,16-17,24,32H,7-8,15H2,1H3,(H,28,31)
InChIKeyMBQFRZPWDQEMNE-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.49
Rot. Bonds5

About 2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide

2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide (PubChem CID 126601388) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide
PubChem CID126601388
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide
SMILESCn1nccc1-c1ccc2nn(C(Cc3ccccc3)C(=O)NO)c(C#CC3CC3)c2c1
InChIInChI=1S/C25H23N5O2/c1-29-22(13-14-26-29)19-10-11-21-20(16-19)23(12-9-17-7-8-17)30(27-21)24(25(31)28-32)15-18-5-3-2-4-6-18/h2-6,10-11,13-14,16-17,24,32H,7-8,15H2,1H3,(H,28,31)
InChIKeyMBQFRZPWDQEMNE-UHFFFAOYSA-N
XLogP3.49
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide (CID 126601388) is 2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide is Cn1nccc1-c1ccc2nn(C(Cc3ccccc3)C(=O)NO)c(C#CC3CC3)c2c1.
What is the InChIKey of 2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
The InChIKey is MBQFRZPWDQEMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-29-22(13-14-26-29)19-10-11-21-20(16-19)23(12-9-17-7-8-17)30(27-21)24(25(31)28-32)15-18-5-3-2-4-6-18/h2-6,10-11,13-14,16-17,24,32H,7-8,15H2,1H3,(H,28,31).
What are the key properties of 2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide?
2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide has a molecular weight of 425.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclopropylethynyl)-5-(2-methylpyrazol-3-yl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 126601388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).