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

C18H19N3O4 — CID 91253536

IUPAC(5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol
SMILESCc1c(-n2c(O)c3c(c2O)C2(C)OC3(C)C[C@@H]2O)ccc2nccn12
InChIInChI=1S/C18H19N3O4/c1-9-10(4-5-12-19-6-7-20(9)12)21-15(23)13-14(16(21)24)18(3)11(22)8-17(13,2)25-18/h4-7,11,22-24H,8H2,1-3H3/t11-,17?,18?/m0/s1
InChIKeyFSWLFUQMGLDYIK-NVWNAPEYSA-N
MW341.37 g/mol
LogP2.07
Rot. Bonds1

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

(5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol (PubChem CID 91253536) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol.

Molecular Properties

Compound Name(5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol
PubChem CID91253536
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol
SMILESCc1c(-n2c(O)c3c(c2O)C2(C)OC3(C)C[C@@H]2O)ccc2nccn12
InChIInChI=1S/C18H19N3O4/c1-9-10(4-5-12-19-6-7-20(9)12)21-15(23)13-14(16(21)24)18(3)11(22)8-17(13,2)25-18/h4-7,11,22-24H,8H2,1-3H3/t11-,17?,18?/m0/s1
InChIKeyFSWLFUQMGLDYIK-NVWNAPEYSA-N
XLogP2.07
TPSA92.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol?
The IUPAC name of (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) is (5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol.
What is the SMILES notation for (5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol?
The canonical SMILES for (5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol is Cc1c(-n2c(O)c3c(c2O)C2(C)OC3(C)C[C@@H]2O)ccc2nccn12.
What is the InChIKey of (5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol?
The InChIKey is FSWLFUQMGLDYIK-NVWNAPEYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-9-10(4-5-12-19-6-7-20(9)12)21-15(23)13-14(16(21)24)18(3)11(22)8-17(13,2)25-18/h4-7,11,22-24H,8H2,1-3H3/t11-,17?,18?/m0/s1.
What are the key properties of (5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol?
(5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol has a molecular weight of 341.37 g/mol, XLogP of 2.07, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3,5-triol is sourced from PubChem (CID 91253536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).