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

C17H18N4O3 — CID 91930087

IUPAC2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
SMILESCC12CCC(C)(O1)c1c2c(O)n(-c2c(N)ccc3nccn23)c1O
InChIInChI=1S/C17H18N4O3/c1-16-5-6-17(2,24-16)12-11(16)14(22)21(15(12)23)13-9(18)3-4-10-19-7-8-20(10)13/h3-4,7-8,22-23H,5-6,18H2,1-2H3
InChIKeyLCNVRUXNPOWVOK-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.37
Rot. Bonds1

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

2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol (PubChem CID 91930087) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol.

Molecular Properties

Compound Name2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
PubChem CID91930087
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
SMILESCC12CCC(C)(O1)c1c2c(O)n(-c2c(N)ccc3nccn23)c1O
InChIInChI=1S/C17H18N4O3/c1-16-5-6-17(2,24-16)12-11(16)14(22)21(15(12)23)13-9(18)3-4-10-19-7-8-20(10)13/h3-4,7-8,22-23H,5-6,18H2,1-2H3
InChIKeyLCNVRUXNPOWVOK-UHFFFAOYSA-N
XLogP2.37
TPSA97.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The IUPAC name of 2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol (CID 91930087) is 2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol.
What is the SMILES notation for 2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The canonical SMILES for 2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol is CC12CCC(C)(O1)c1c2c(O)n(-c2c(N)ccc3nccn23)c1O.
What is the InChIKey of 2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The InChIKey is LCNVRUXNPOWVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-16-5-6-17(2,24-16)12-11(16)14(22)21(15(12)23)13-9(18)3-4-10-19-7-8-20(10)13/h3-4,7-8,22-23H,5-6,18H2,1-2H3.
What are the key properties of 2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol has a molecular weight of 326.36 g/mol, XLogP of 2.37, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoimidazo[1,2-a]pyridin-5-yl)-4,7-dimethyl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol is sourced from PubChem (CID 91930087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).