(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

C17H22N2O5 — CID 54584212

IUPAC(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCOc1ccc(CCc2cn3c(n2)[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc1
InChIInChI=1S/C17H22N2O5/c1-24-12-6-3-10(4-7-12)2-5-11-8-19-13(9-20)14(21)15(22)16(23)17(19)18-11/h3-4,6-8,13-16,20-23H,2,5,9H2,1H3/t13-,14-,15+,16-/m1/s1
InChIKeyKPLBHAFSPRCBBS-LVQVYYBASA-N
MW334.37 g/mol
LogP-0.02
Rot. Bonds5

About (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 54584212) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID54584212
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESCOc1ccc(CCc2cn3c(n2)[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc1
InChIInChI=1S/C17H22N2O5/c1-24-12-6-3-10(4-7-12)2-5-11-8-19-13(9-20)14(21)15(22)16(23)17(19)18-11/h3-4,6-8,13-16,20-23H,2,5,9H2,1H3/t13-,14-,15+,16-/m1/s1
InChIKeyKPLBHAFSPRCBBS-LVQVYYBASA-N
XLogP-0.02
TPSA107.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol with MolForge

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Related Compounds

(5R,6R,7S,8S)-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10267025
(2-Isopropyl-3-methyl-3H-imidazol-4-yl)-(3-methoxy-phenyl)-methanol
CID 3140480
(5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)-2-(phenoxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol
CID 11197529
(5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)-2-(2-phenylethyl)-imidazo[1,2-a]pyridine-6,7,8-triol
CID 11312752
(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 53358795
(2-Methoxyphenyl)(1-methyl-2-propyl-1H-imidazol-5-yl)methanol
CID 2881241
(3-Methoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol
CID 2889570
5-(Hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 72796957
5-(Hydroxymethyl)-2-[3-(4-methylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 74982385
5-(Hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 74982386
(4-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methanol
CID 2858297
(5R,6R,7S,8S)-2-[2-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 54582273

Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 54584212) is (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.
What is the SMILES notation for (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is COc1ccc(CCc2cn3c(n2)[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc1.
What is the InChIKey of (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is KPLBHAFSPRCBBS-LVQVYYBASA-N. The full InChI is InChI=1S/C17H22N2O5/c1-24-12-6-3-10(4-7-12)2-5-11-8-19-13(9-20)14(21)15(22)16(23)17(19)18-11/h3-4,6-8,13-16,20-23H,2,5,9H2,1H3/t13-,14-,15+,16-/m1/s1.
What are the key properties of (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol has a molecular weight of 334.37 g/mol, XLogP of -0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 54584212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).