(6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

C15H24N2O3 — CID 11521990

IUPAC(6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESO[C@H]1[C@@H](O)Cn2c(CCC3CCCCC3)cnc2[C@@H]1O
InChIInChI=1S/C15H24N2O3/c18-12-9-17-11(7-6-10-4-2-1-3-5-10)8-16-15(17)14(20)13(12)19/h8,10,12-14,18-20H,1-7,9H2/t12-,13-,14+/m0/s1
InChIKeyBRFPMVWCFLWUBK-MELADBBJSA-N
MW280.37 g/mol
LogP1.16
Rot. Bonds3

About (6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

(6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 11521990) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name(6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID11521990
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESO[C@H]1[C@@H](O)Cn2c(CCC3CCCCC3)cnc2[C@@H]1O
InChIInChI=1S/C15H24N2O3/c18-12-9-17-11(7-6-10-4-2-1-3-5-10)8-16-15(17)14(20)13(12)19/h8,10,12-14,18-20H,1-7,9H2/t12-,13-,14+/m0/s1
InChIKeyBRFPMVWCFLWUBK-MELADBBJSA-N
XLogP1.16
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of (6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 11521990) is (6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.
What is the SMILES notation for (6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for (6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is O[C@H]1[C@@H](O)Cn2c(CCC3CCCCC3)cnc2[C@@H]1O.
What is the InChIKey of (6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is BRFPMVWCFLWUBK-MELADBBJSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-12-9-17-11(7-6-10-4-2-1-3-5-10)8-16-15(17)14(20)13(12)19/h8,10,12-14,18-20H,1-7,9H2/t12-,13-,14+/m0/s1.
What are the key properties of (6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
(6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol has a molecular weight of 280.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 11521990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).