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

C23H25F3N2O6 — CID 23543190

IUPAC2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol
SMILESCc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(CCc3ccc(C(F)(F)F)cc3)[nH]nc2c1
InChIInChI=1S/C23H25F3N2O6/c1-11-8-15-18(16(9-11)33-22-21(32)20(31)19(30)17(10-29)34-22)14(27-28-15)7-4-12-2-5-13(6-3-12)23(24,25)26/h2-3,5-6,8-9,17,19-22,29-32H,4,7,10H2,1H3,(H,27,28)
InChIKeyFZAVIWLRKQXSRZ-UHFFFAOYSA-N
MW482.46 g/mol
LogP1.85
Rot. Bonds6

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

2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol (PubChem CID 23543190) has the molecular formula C23H25F3N2O6 and a molecular weight of 482.46 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol
PubChem CID23543190
Molecular FormulaC23H25F3N2O6
Molecular Weight482.46 g/mol
Exact Mass482.17
IUPAC Name2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol
SMILESCc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(CCc3ccc(C(F)(F)F)cc3)[nH]nc2c1
InChIInChI=1S/C23H25F3N2O6/c1-11-8-15-18(16(9-11)33-22-21(32)20(31)19(30)17(10-29)34-22)14(27-28-15)7-4-12-2-5-13(6-3-12)23(24,25)26/h2-3,5-6,8-9,17,19-22,29-32H,4,7,10H2,1H3,(H,27,28)
InChIKeyFZAVIWLRKQXSRZ-UHFFFAOYSA-N
XLogP1.85
TPSA128.06 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 51.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol (CID 23543190) is 2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol is Cc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(CCc3ccc(C(F)(F)F)cc3)[nH]nc2c1.
What is the InChIKey of 2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol?
The InChIKey is FZAVIWLRKQXSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O6/c1-11-8-15-18(16(9-11)33-22-21(32)20(31)19(30)17(10-29)34-22)14(27-28-15)7-4-12-2-5-13(6-3-12)23(24,25)26/h2-3,5-6,8-9,17,19-22,29-32H,4,7,10H2,1H3,(H,27,28).
What are the key properties of 2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol has a molecular weight of 482.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[[6-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2H-indazol-4-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 23543190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).