N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide

C24H21N3O — CID 46886305

IUPACN-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide
SMILESCc1cc2[nH]nc(/C=C/c3ccccc3)c2cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H21N3O/c1-17-14-23-20(21(26-27-23)13-12-18-8-4-2-5-9-18)16-22(17)25-24(28)15-19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)/b13-12+
InChIKeyVYAAXBSGJBZIIN-OUKQBFOZSA-N
MW367.45 g/mol
LogP5.22
Rot. Bonds5

About N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide

N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide (PubChem CID 46886305) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide
PubChem CID46886305
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide
SMILESCc1cc2[nH]nc(/C=C/c3ccccc3)c2cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H21N3O/c1-17-14-23-20(21(26-27-23)13-12-18-8-4-2-5-9-18)16-22(17)25-24(28)15-19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)/b13-12+
InChIKeyVYAAXBSGJBZIIN-OUKQBFOZSA-N
XLogP5.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide (CID 46886305) is N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide is Cc1cc2[nH]nc(/C=C/c3ccccc3)c2cc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide?
The InChIKey is VYAAXBSGJBZIIN-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H21N3O/c1-17-14-23-20(21(26-27-23)13-12-18-8-4-2-5-9-18)16-22(17)25-24(28)15-19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)/b13-12+.
What are the key properties of N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide?
N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide has a molecular weight of 367.45 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 46886305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).