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

C17H17N3O3 — CID 90795341

IUPAC(4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
SMILESC[C@]12CC[C@](C)(O1)c1c2c(O)n(-c2ccc3nccn3c2)c1O
InChIInChI=1S/C17H17N3O3/c1-16-5-6-17(2,23-16)13-12(16)14(21)20(15(13)22)10-3-4-11-18-7-8-19(11)9-10/h3-4,7-9,21-22H,5-6H2,1-2H3/t16-,17+
InChIKeyIWIVLELYEGIEDH-CALCHBBNSA-N
MW311.34 g/mol
LogP2.79
Rot. Bonds1

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

(4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol (PubChem CID 90795341) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol.

Molecular Properties

Compound Name(4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
PubChem CID90795341
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
SMILESC[C@]12CC[C@](C)(O1)c1c2c(O)n(-c2ccc3nccn3c2)c1O
InChIInChI=1S/C17H17N3O3/c1-16-5-6-17(2,23-16)13-12(16)14(21)20(15(13)22)10-3-4-11-18-7-8-19(11)9-10/h3-4,7-9,21-22H,5-6H2,1-2H3/t16-,17+
InChIKeyIWIVLELYEGIEDH-CALCHBBNSA-N
XLogP2.79
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(5S)-2-(5-isocyano-4-methyl-2-pyridinyl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol
CID 90699173
5-[(4R,7S)-1,3-dihydroxy-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindol-2-yl]pyrimidine-2-carbonitrile
CID 90771257
4,7-Dimethyl-2-(2-methyl-3-pyridinyl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
CID 90809756
2-Imidazo[1,2-a]pyridin-6-yl-6-methoxyisoindol-1-ol
CID 90821459
(5R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol
CID 90829030
2-(4-imidazol-1-ylphenyl)-7-methyl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol
CID 90944476
4,7-Dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
CID 91008930
2-(1-Isocyanoisoquinolin-4-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
CID 91130030
(4R,7S)-2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
CID 91192136
(5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol
CID 91253536
(5S)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol
CID 91338432
(4R,7S)-2-(4-imidazol-1-ylphenyl)-7-methyl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol
CID 91385780

Frequently Asked Questions

What is the IUPAC name of (4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The IUPAC name of (4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol (CID 90795341) is (4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol.
What is the SMILES notation for (4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The canonical SMILES for (4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol is C[C@]12CC[C@](C)(O1)c1c2c(O)n(-c2ccc3nccn3c2)c1O.
What is the InChIKey of (4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The InChIKey is IWIVLELYEGIEDH-CALCHBBNSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-16-5-6-17(2,23-16)13-12(16)14(21)20(15(13)22)10-3-4-11-18-7-8-19(11)9-10/h3-4,7-9,21-22H,5-6H2,1-2H3/t16-,17+.
What are the key properties of (4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
(4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol has a molecular weight of 311.34 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R)-2-imidazo[1,2-a]pyridin-6-yl-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol is sourced from PubChem (CID 90795341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).