6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine

C24H24N4O5 — CID 137404890

IUPAC6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1cnc2c(c1)ncn2Cc1cc(OC)c2c(c1)OCC(c1cnc(OC)cc1C)O2
InChIInChI=1S/C24H24N4O5/c1-14-5-22(31-4)25-10-17(14)21-12-32-20-7-15(6-19(30-3)23(20)33-21)11-28-13-27-18-8-16(29-2)9-26-24(18)28/h5-10,13,21H,11-12H2,1-4H3
InChIKeyLRPAHEUJKZLRDD-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.72
Rot. Bonds6

About 6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine

6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 137404890) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID137404890
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1cnc2c(c1)ncn2Cc1cc(OC)c2c(c1)OCC(c1cnc(OC)cc1C)O2
InChIInChI=1S/C24H24N4O5/c1-14-5-22(31-4)25-10-17(14)21-12-32-20-7-15(6-19(30-3)23(20)33-21)11-28-13-27-18-8-16(29-2)9-26-24(18)28/h5-10,13,21H,11-12H2,1-4H3
InChIKeyLRPAHEUJKZLRDD-UHFFFAOYSA-N
XLogP3.72
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine (CID 137404890) is 6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine is COc1cnc2c(c1)ncn2Cc1cc(OC)c2c(c1)OCC(c1cnc(OC)cc1C)O2.
What is the InChIKey of 6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is LRPAHEUJKZLRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-14-5-22(31-4)25-10-17(14)21-12-32-20-7-15(6-19(30-3)23(20)33-21)11-28-13-27-18-8-16(29-2)9-26-24(18)28/h5-10,13,21H,11-12H2,1-4H3.
What are the key properties of 6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 448.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[5-methoxy-3-(6-methoxy-4-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 137404890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).