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

C23H22N4O5 — CID 126484115

IUPAC6-methoxy-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1cnc2c(c1)ncn2Cc1cc(OC)c2c(c1)OCC(c1ccc(OC)nc1)O2
InChIInChI=1S/C23H22N4O5/c1-28-16-8-17-23(25-10-16)27(13-26-17)11-14-6-18(29-2)22-19(7-14)31-12-20(32-22)15-4-5-21(30-3)24-9-15/h4-10,13,20H,11-12H2,1-3H3
InChIKeyGMKVQPASQMJOFB-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.41
Rot. Bonds6

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

6-methoxy-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 126484115) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 6-methoxy-3-[[5-methoxy-3-(6-methoxy-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-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID126484115
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name6-methoxy-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1cnc2c(c1)ncn2Cc1cc(OC)c2c(c1)OCC(c1ccc(OC)nc1)O2
InChIInChI=1S/C23H22N4O5/c1-28-16-8-17-23(25-10-16)27(13-26-17)11-14-6-18(29-2)22-19(7-14)31-12-20(32-22)15-4-5-21(30-3)24-9-15/h4-10,13,20H,11-12H2,1-3H3
InChIKeyGMKVQPASQMJOFB-UHFFFAOYSA-N
XLogP3.41
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-methoxy-3-[[5-methoxy-3-(6-methoxy-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-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-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine (CID 126484115) is 6-methoxy-3-[[5-methoxy-3-(6-methoxy-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-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-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine is COc1cnc2c(c1)ncn2Cc1cc(OC)c2c(c1)OCC(c1ccc(OC)nc1)O2.
What is the InChIKey of 6-methoxy-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is GMKVQPASQMJOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-28-16-8-17-23(25-10-16)27(13-26-17)11-14-6-18(29-2)22-19(7-14)31-12-20(32-22)15-4-5-21(30-3)24-9-15/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of 6-methoxy-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
6-methoxy-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 434.45 g/mol, XLogP of 3.41, 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-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 126484115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).