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

C26H24N6O4 — CID 137404878

IUPAC3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(-c6ncc(C)[nH]6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C26H24N6O4/c1-15-9-28-25(31-15)18-8-19-26(29-11-18)32(14-30-19)12-16-6-20(33-2)24-21(7-16)35-13-22(36-24)17-4-5-23(34-3)27-10-17/h4-11,14,22H,12-13H2,1-3H3,(H,28,31)
InChIKeyRIRHKINZKRIHLI-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.10
Rot. Bonds6

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

3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine (PubChem CID 137404878) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine
PubChem CID137404878
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(-c6ncc(C)[nH]6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C26H24N6O4/c1-15-9-28-25(31-15)18-8-19-26(29-11-18)32(14-30-19)12-16-6-20(33-2)24-21(7-16)35-13-22(36-24)17-4-5-23(34-3)27-10-17/h4-11,14,22H,12-13H2,1-3H3,(H,28,31)
InChIKeyRIRHKINZKRIHLI-UHFFFAOYSA-N
XLogP4.10
TPSA109.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine (CID 137404878) is 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine is COc1ccc(C2COc3cc(Cn4cnc5cc(-c6ncc(C)[nH]6)cnc54)cc(OC)c3O2)cn1.
What is the InChIKey of 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is RIRHKINZKRIHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-15-9-28-25(31-15)18-8-19-26(29-11-18)32(14-30-19)12-16-6-20(33-2)24-21(7-16)35-13-22(36-24)17-4-5-23(34-3)27-10-17/h4-11,14,22H,12-13H2,1-3H3,(H,28,31).
What are the key properties of 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine?
3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 484.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(5-methyl-1H-imidazol-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 137404878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).