(6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

C15H18N2O3 — CID 10880304

IUPAC(6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESO[C@H]1[C@@H](O)Cn2cc(CCc3ccccc3)nc2[C@@H]1O
InChIInChI=1S/C15H18N2O3/c18-12-9-17-8-11(16-15(17)14(20)13(12)19)7-6-10-4-2-1-3-5-10/h1-5,8,12-14,18-20H,6-7,9H2/t12-,13-,14+/m0/s1
InChIKeyFPOIYUHDMCLYEQ-MELADBBJSA-N
MW274.32 g/mol
LogP0.44
Rot. Bonds3

About (6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

(6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 10880304) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name(6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID10880304
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESO[C@H]1[C@@H](O)Cn2cc(CCc3ccccc3)nc2[C@@H]1O
InChIInChI=1S/C15H18N2O3/c18-12-9-17-8-11(16-15(17)14(20)13(12)19)7-6-10-4-2-1-3-5-10/h1-5,8,12-14,18-20H,6-7,9H2/t12-,13-,14+/m0/s1
InChIKeyFPOIYUHDMCLYEQ-MELADBBJSA-N
XLogP0.44
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of (6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 10880304) is (6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.
What is the SMILES notation for (6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for (6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is O[C@H]1[C@@H](O)Cn2cc(CCc3ccccc3)nc2[C@@H]1O.
What is the InChIKey of (6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is FPOIYUHDMCLYEQ-MELADBBJSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-12-9-17-8-11(16-15(17)14(20)13(12)19)7-6-10-4-2-1-3-5-10/h1-5,8,12-14,18-20H,6-7,9H2/t12-,13-,14+/m0/s1.
What are the key properties of (6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
(6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol has a molecular weight of 274.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 10880304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).