2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C21H26N2O6S — CID 23543182

IUPAC2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCc1ccc(Cc2[nH]nc3cc(C)cc(OC4OC(CO)C(O)C(O)C4O)c23)s1
InChIInChI=1S/C21H26N2O6S/c1-3-11-4-5-12(30-11)8-14-17-13(22-23-14)6-10(2)7-15(17)28-21-20(27)19(26)18(25)16(9-24)29-21/h4-7,16,18-21,24-27H,3,8-9H2,1-2H3,(H,22,23)
InChIKeyVWJWHYWEVGDIDV-UHFFFAOYSA-N
MW434.51 g/mol
LogP1.26
Rot. Bonds6

About 2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 23543182) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID23543182
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCc1ccc(Cc2[nH]nc3cc(C)cc(OC4OC(CO)C(O)C(O)C4O)c23)s1
InChIInChI=1S/C21H26N2O6S/c1-3-11-4-5-12(30-11)8-14-17-13(22-23-14)6-10(2)7-15(17)28-21-20(27)19(26)18(25)16(9-24)29-21/h4-7,16,18-21,24-27H,3,8-9H2,1-2H3,(H,22,23)
InChIKeyVWJWHYWEVGDIDV-UHFFFAOYSA-N
XLogP1.26
TPSA128.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 51.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 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-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol
CID 23543187
2-[[3-[2-(4-chlorophenyl)ethyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 23543177
2-[[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 23543176
2-(hydroxymethyl)-6-[[3-[2-(6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol
CID 23543183
(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-2,3,4,5-tetrol
CID 68633268
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[[3-[2-(4-methoxyphenyl)ethyl]-6-methyl-2H-indazol-4-yl]peroxy]oxane-2,4,5-triol
CID 87523632
2-(2,3-dihydroxy-5-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 22266908
[6-[[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methyl-2H-indazol-4-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CID 23543192
2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 2844791
(2R,3R,4R,5R,6S)-2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 1379856
(2S,3R,4R,5S,6S)-2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7071601

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 23543182) is 2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CCc1ccc(Cc2[nH]nc3cc(C)cc(OC4OC(CO)C(O)C(O)C4O)c23)s1.
What is the InChIKey of 2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is VWJWHYWEVGDIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-3-11-4-5-12(30-11)8-14-17-13(22-23-14)6-10(2)7-15(17)28-21-20(27)19(26)18(25)16(9-24)29-21/h4-7,16,18-21,24-27H,3,8-9H2,1-2H3,(H,22,23).
What are the key properties of 2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 434.51 g/mol, XLogP of 1.26, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 23543182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).