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

C25H22N6O4 — CID 137404903

IUPAC6-(1H-imidazol-2-yl)-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(-c6ncc[nH]6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C25H22N6O4/c1-32-19-7-15(8-20-23(19)35-21(13-34-20)16-3-4-22(33-2)28-10-16)12-31-14-30-18-9-17(11-29-25(18)31)24-26-5-6-27-24/h3-11,14,21H,12-13H2,1-2H3,(H,26,27)
InChIKeyLOASVPHUXSBPBH-UHFFFAOYSA-N
MW470.49 g/mol
LogP3.79
Rot. Bonds6

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

6-(1H-imidazol-2-yl)-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 137404903) has the molecular formula C25H22N6O4 and a molecular weight of 470.49 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-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-(1H-imidazol-2-yl)-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID137404903
Molecular FormulaC25H22N6O4
Molecular Weight470.49 g/mol
Exact Mass470.17
IUPAC Name6-(1H-imidazol-2-yl)-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(-c6ncc[nH]6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C25H22N6O4/c1-32-19-7-15(8-20-23(19)35-21(13-34-20)16-3-4-22(33-2)28-10-16)12-31-14-30-18-9-17(11-29-25(18)31)24-26-5-6-27-24/h3-11,14,21H,12-13H2,1-2H3,(H,26,27)
InChIKeyLOASVPHUXSBPBH-UHFFFAOYSA-N
XLogP3.79
TPSA109.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(1H-imidazol-2-yl)-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-(1H-imidazol-2-yl)-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-(1H-imidazol-2-yl)-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine (CID 137404903) is 6-(1H-imidazol-2-yl)-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-(1H-imidazol-2-yl)-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-(1H-imidazol-2-yl)-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine is COc1ccc(C2COc3cc(Cn4cnc5cc(-c6ncc[nH]6)cnc54)cc(OC)c3O2)cn1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-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 LOASVPHUXSBPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O4/c1-32-19-7-15(8-20-23(19)35-21(13-34-20)16-3-4-22(33-2)28-10-16)12-31-14-30-18-9-17(11-29-25(18)31)24-26-5-6-27-24/h3-11,14,21H,12-13H2,1-2H3,(H,26,27).
What are the key properties of 6-(1H-imidazol-2-yl)-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
6-(1H-imidazol-2-yl)-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 470.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)-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 137404903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).