[(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol

C29H30N2O4 — CID 101239739

IUPAC[(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol
SMILESOCc1cn2c(n1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C2
InChIInChI=1S/C29H30N2O4/c32-18-25-16-31-17-26(33-19-22-10-4-1-5-11-22)27(34-20-23-12-6-2-7-13-23)28(29(31)30-25)35-21-24-14-8-3-9-15-24/h1-16,26-28,32H,17-21H2/t26-,27-,28+/m0/s1
InChIKeyNWUNKLCCFBMYBM-HZFUHODCSA-N
MW470.57 g/mol
LogP4.82
Rot. Bonds10

About [(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol

[(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol (PubChem CID 101239739) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is [(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol
PubChem CID101239739
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC Name[(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol
SMILESOCc1cn2c(n1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C2
InChIInChI=1S/C29H30N2O4/c32-18-25-16-31-17-26(33-19-22-10-4-1-5-11-22)27(34-20-23-12-6-2-7-13-23)28(29(31)30-25)35-21-24-14-8-3-9-15-24/h1-16,26-28,32H,17-21H2/t26-,27-,28+/m0/s1
InChIKeyNWUNKLCCFBMYBM-HZFUHODCSA-N
XLogP4.82
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-2-(3-phenylprop-1-ynyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 11563051
(6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 15720249
(6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
CID 10981013
(3S,5R)-3,4,5-tris(phenylmethoxy)piperidine-1-carbaldehyde
CID 175873716
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1R,2S,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 11530497
(1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 11566573
(6S,7S,8S)-2-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10878161
2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol
CID 45357835
[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol
CID 11754618
benzyl (2S,3R,4R,5R)-2-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate
CID 53355865
(1S,6S,7R,8R,8aS)-1,6,7,8-tetrakis(phenylmethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11124483

Frequently Asked Questions

What is the IUPAC name of [(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol?
The IUPAC name of [(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol (CID 101239739) is [(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol.
What is the SMILES notation for [(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol?
The canonical SMILES for [(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol is OCc1cn2c(n1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C2.
What is the InChIKey of [(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol?
The InChIKey is NWUNKLCCFBMYBM-HZFUHODCSA-N. The full InChI is InChI=1S/C29H30N2O4/c32-18-25-16-31-17-26(33-19-22-10-4-1-5-11-22)27(34-20-23-12-6-2-7-13-23)28(29(31)30-25)35-21-24-14-8-3-9-15-24/h1-16,26-28,32H,17-21H2/t26-,27-,28+/m0/s1.
What are the key properties of [(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol?
[(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol has a molecular weight of 470.57 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol is sourced from PubChem (CID 101239739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).