methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate

C23H20N2O2 — CID 59252820

IUPACmethyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(c1ccccc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C23H20N2O2/c1-27-23(26)22(17-10-6-3-7-11-17)21(16-8-4-2-5-9-16)18-12-13-20-19(14-18)15-24-25-20/h2-15,21-22H,1H3,(H,24,25)
InChIKeySYCCDHLLSNYTHP-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.65
Rot. Bonds5

About methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate

methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate (PubChem CID 59252820) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate
PubChem CID59252820
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Namemethyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate
SMILESCOC(=O)C(c1ccccc1)C(c1ccccc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C23H20N2O2/c1-27-23(26)22(17-10-6-3-7-11-17)21(16-8-4-2-5-9-16)18-12-13-20-19(14-18)15-24-25-20/h2-15,21-22H,1H3,(H,24,25)
InChIKeySYCCDHLLSNYTHP-UHFFFAOYSA-N
XLogP4.65
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate 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

methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
CID 119042310
methyl 2-(1H-indazol-6-yl)propanoate
CID 70809324
ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate
CID 171866255
1H-indazol-5-yl (2S)-3-methylsulfanyl-2-phenylpropanoate
CID 95971625
2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
CID 43698093
(1R)-1-(1H-indazol-5-yl)-2-methylpropan-1-amine
CID 130948805
2-aminopropanoic acid;1H-indazole
CID 175055446
N-methyl-1H-indazole-5-carboxamide
CID 22934041
2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 169099717
methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
CID 72723306
methyl 3-iodo-2,3-diphenylpropanoate
CID 10451510
anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide
CID 142520969

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate?
The IUPAC name of methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate (CID 59252820) is methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate.
What is the SMILES notation for methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate?
The canonical SMILES for methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate is COC(=O)C(c1ccccc1)C(c1ccccc1)c1ccc2[nH]ncc2c1.
What is the InChIKey of methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate?
The InChIKey is SYCCDHLLSNYTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-27-23(26)22(17-10-6-3-7-11-17)21(16-8-4-2-5-9-16)18-12-13-20-19(14-18)15-24-25-20/h2-15,21-22H,1H3,(H,24,25).
What are the key properties of methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate?
methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate has a molecular weight of 356.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate is sourced from PubChem (CID 59252820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).