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

C22H26N2O7 — CID 23543187

IUPAC2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol
SMILESCOc1ccc(Cc2[nH]nc3cc(C)cc(OC4OC(CO)C(O)C(O)C4O)c23)cc1
InChIInChI=1S/C22H26N2O7/c1-11-7-14-18(15(24-23-14)9-12-3-5-13(29-2)6-4-12)16(8-11)30-22-21(28)20(27)19(26)17(10-25)31-22/h3-8,17,19-22,25-28H,9-10H2,1-2H3,(H,23,24)
InChIKeyDQYWYVNIBSCJHN-UHFFFAOYSA-N
MW430.46 g/mol
LogP0.65
Rot. Bonds6

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

2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol (PubChem CID 23543187) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol
PubChem CID23543187
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol
SMILESCOc1ccc(Cc2[nH]nc3cc(C)cc(OC4OC(CO)C(O)C(O)C4O)c23)cc1
InChIInChI=1S/C22H26N2O7/c1-11-7-14-18(15(24-23-14)9-12-3-5-13(29-2)6-4-12)16(8-11)30-22-21(28)20(27)19(26)17(10-25)31-22/h3-8,17,19-22,25-28H,9-10H2,1-2H3,(H,23,24)
InChIKeyDQYWYVNIBSCJHN-UHFFFAOYSA-N
XLogP0.65
TPSA137.29 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 50.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol with MolForge

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Related Compounds

2-[[3-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 23543182
(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
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-[[3-[2-(4-chlorophenyl)ethyl]-6-methyl-2H-indazol-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 23543177
2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol
CID 23543190
(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-(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
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]-3-methylphenoxy]oxane-3,4,5-triol
CID 67458021
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
CID 71254851
2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
CID 69086659

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol (CID 23543187) is 2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol is COc1ccc(Cc2[nH]nc3cc(C)cc(OC4OC(CO)C(O)C(O)C4O)c23)cc1.
What is the InChIKey of 2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol?
The InChIKey is DQYWYVNIBSCJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7/c1-11-7-14-18(15(24-23-14)9-12-3-5-13(29-2)6-4-12)16(8-11)30-22-21(28)20(27)19(26)17(10-25)31-22/h3-8,17,19-22,25-28H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol has a molecular weight of 430.46 g/mol, XLogP of 0.65, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[[3-[(4-methoxyphenyl)methyl]-6-methyl-2H-indazol-4-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 23543187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).