(5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol

C17H17N3O4 — CID 91338432

IUPAC(5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol
SMILESCC12C[C@H](O)C(C)(O1)c1c2c(O)n(-c2ccc3nccn3c2)c1O
InChIInChI=1S/C17H17N3O4/c1-16-7-10(21)17(2,24-16)13-12(16)14(22)20(15(13)23)9-3-4-11-18-5-6-19(11)8-9/h3-6,8,10,21-23H,7H2,1-2H3/t10-,16?,17?/m0/s1
InChIKeyUKCRMZBMTAJOPS-DTUOUAAVSA-N
MW327.34 g/mol
LogP1.76
Rot. Bonds1

About (5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol

(5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol (PubChem CID 91338432) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol.

Molecular Properties

Compound Name(5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol
PubChem CID91338432
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol
SMILESCC12C[C@H](O)C(C)(O1)c1c2c(O)n(-c2ccc3nccn3c2)c1O
InChIInChI=1S/C17H17N3O4/c1-16-7-10(21)17(2,24-16)13-12(16)14(22)20(15(13)23)9-3-4-11-18-5-6-19(11)8-9/h3-6,8,10,21-23H,7H2,1-2H3/t10-,16?,17?/m0/s1
InChIKeyUKCRMZBMTAJOPS-DTUOUAAVSA-N
XLogP1.76
TPSA92.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol?
The IUPAC name of (5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol (CID 91338432) is (5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol.
What is the SMILES notation for (5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol?
The canonical SMILES for (5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol is CC12C[C@H](O)C(C)(O1)c1c2c(O)n(-c2ccc3nccn3c2)c1O.
What is the InChIKey of (5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol?
The InChIKey is UKCRMZBMTAJOPS-DTUOUAAVSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-16-7-10(21)17(2,24-16)13-12(16)14(22)20(15(13)23)9-3-4-11-18-5-6-19(11)8-9/h3-6,8,10,21-23H,7H2,1-2H3/t10-,16?,17?/m0/s1.
What are the key properties of (5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol?
(5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol has a molecular weight of 327.34 g/mol, XLogP of 1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol is sourced from PubChem (CID 91338432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).