benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate

C23H20N2O3 — CID 170357733

IUPACbenzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
SMILESCn1nc2ccc(OCc3ccccc3)cc2c1C(=O)OCc1ccccc1
InChIInChI=1S/C23H20N2O3/c1-25-22(23(26)28-16-18-10-6-3-7-11-18)20-14-19(12-13-21(20)24-25)27-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3
InChIKeyOPZZTSNTIWZZER-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.51
Rot. Bonds6

About benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate

benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate (PubChem CID 170357733) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
PubChem CID170357733
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Namebenzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
SMILESCn1nc2ccc(OCc3ccccc3)cc2c1C(=O)OCc1ccccc1
InChIInChI=1S/C23H20N2O3/c1-25-22(23(26)28-16-18-10-6-3-7-11-18)20-14-19(12-13-21(20)24-25)27-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3
InChIKeyOPZZTSNTIWZZER-UHFFFAOYSA-N
XLogP4.51
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate 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

2-methyl-5-phenylmethoxyindazole-3-carboxylic acid
CID 170357791
N-[1-(2-hydroxyethyl)cyclobutyl]-2-methyl-5-phenylmethoxyindazole-3-carboxamide
CID 170602534
2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide
CID 170419321
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
methyl 3-acetamido-1-methyl-5-phenylmethoxyindole-2-carboxylate
CID 4777725
(4-methyl-6-phenylmethoxyquinolin-2-yl)methanol
CID 82576433
3-O-benzyl 5-O-methyl 1-methylpyrazole-3,5-dicarboxylate
CID 10956696
benzyl benzoate
CID 2345
(3-hydroxyphenyl)-(5-phenylmethoxybenzotriazol-2-yl)methanone
CID 162373892
1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one
CID 22241639
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate?
The IUPAC name of benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate (CID 170357733) is benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate.
What is the SMILES notation for benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate?
The canonical SMILES for benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate is Cn1nc2ccc(OCc3ccccc3)cc2c1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate?
The InChIKey is OPZZTSNTIWZZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-25-22(23(26)28-16-18-10-6-3-7-11-18)20-14-19(12-13-21(20)24-25)27-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3.
What are the key properties of benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate?
benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate is sourced from PubChem (CID 170357733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).