methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate

C23H20N2O4 — CID 177176624

IUPACmethyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate
SMILESCOC(=O)c1cc2cnn(C)c2cc1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-25-21-13-22(20(23(26)27-2)12-17(21)14-24-25)29-19-10-8-18(9-11-19)28-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKeyOTHYYABYYIASBO-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.73
Rot. Bonds6

About methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate

methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate (PubChem CID 177176624) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate
PubChem CID177176624
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Namemethyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate
SMILESCOC(=O)c1cc2cnn(C)c2cc1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-25-21-13-22(20(23(26)27-2)12-17(21)14-24-25)29-19-10-8-18(9-11-19)28-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKeyOTHYYABYYIASBO-UHFFFAOYSA-N
XLogP4.73
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate
CID 177176603
6-(4-hydroxyphenoxy)-1-methylindazole-5-carboxamide
CID 177176482
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxylate
CID 177176292
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
1-(1-methylindazol-5-yl)-4-phenylmethoxypyridin-2-one
CID 143723289
methyl 3-methylsulfonyl-4-(4-phenylmethoxyphenoxy)benzoate
CID 23359363
6-[4-[2-[(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)amino]ethoxy]phenoxy]-1-methylindazole-5-carboxamide
CID 177176687
benzyl N-(1-methylindazol-5-yl)carbamate
CID 69411375
methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate
CID 170459078

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate (CID 177176624) is methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate is COC(=O)c1cc2cnn(C)c2cc1Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate?
The InChIKey is OTHYYABYYIASBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-25-21-13-22(20(23(26)27-2)12-17(21)14-24-25)29-19-10-8-18(9-11-19)28-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3.
What are the key properties of methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate?
methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-(4-phenylmethoxyphenoxy)indazole-5-carboxylate is sourced from PubChem (CID 177176624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).