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

C18H19N3O3 — CID 91008930

IUPAC4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
SMILESCc1c(-n2c(O)c3c(c2O)C2(C)CCC3(C)O2)ccc2nccn12
InChIInChI=1S/C18H19N3O3/c1-10-11(4-5-12-19-8-9-20(10)12)21-15(22)13-14(16(21)23)18(3)7-6-17(13,2)24-18/h4-5,8-9,22-23H,6-7H2,1-3H3
InChIKeySUKYZDQQBCFTCM-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.10
Rot. Bonds1

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

4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol (PubChem CID 91008930) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol.

Molecular Properties

Compound Name4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
PubChem CID91008930
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
SMILESCc1c(-n2c(O)c3c(c2O)C2(C)CCC3(C)O2)ccc2nccn12
InChIInChI=1S/C18H19N3O3/c1-10-11(4-5-12-19-8-9-20(10)12)21-15(22)13-14(16(21)23)18(3)7-6-17(13,2)24-18/h4-5,8-9,22-23H,6-7H2,1-3H3
InChIKeySUKYZDQQBCFTCM-UHFFFAOYSA-N
XLogP3.10
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The IUPAC name of 4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol (CID 91008930) is 4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol.
What is the SMILES notation for 4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The canonical SMILES for 4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol is Cc1c(-n2c(O)c3c(c2O)C2(C)CCC3(C)O2)ccc2nccn12.
What is the InChIKey of 4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The InChIKey is SUKYZDQQBCFTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-10-11(4-5-12-19-8-9-20(10)12)21-15(22)13-14(16(21)23)18(3)7-6-17(13,2)24-18/h4-5,8-9,22-23H,6-7H2,1-3H3.
What are the key properties of 4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol has a molecular weight of 325.37 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-(5-methylimidazo[1,2-a]pyridin-6-yl)-5,6-dihydro-4,7-epoxyisoindole-1,3-diol is sourced from PubChem (CID 91008930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).