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

C26H24N6O4 — CID 137404930

IUPAC3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(2-methylimidazol-1-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(-n6ccnc6C)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C26H24N6O4/c1-16-27-6-7-32(16)19-10-20-26(29-12-19)31(15-30-20)13-17-8-21(33-2)25-22(9-17)35-14-23(36-25)18-4-5-24(34-3)28-11-18/h4-12,15,23H,13-14H2,1-3H3
InChIKeyVWCUHNBBHOQKAP-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.90
Rot. Bonds6

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

3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(2-methylimidazol-1-yl)imidazo[4,5-b]pyridine (PubChem CID 137404930) 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-(2-methylimidazol-1-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-(2-methylimidazol-1-yl)imidazo[4,5-b]pyridine
PubChem CID137404930
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-(2-methylimidazol-1-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(-n6ccnc6C)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C26H24N6O4/c1-16-27-6-7-32(16)19-10-20-26(29-12-19)31(15-30-20)13-17-8-21(33-2)25-22(9-17)35-14-23(36-25)18-4-5-24(34-3)28-11-18/h4-12,15,23H,13-14H2,1-3H3
InChIKeyVWCUHNBBHOQKAP-UHFFFAOYSA-N
XLogP3.90
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2-methylimidazol-1-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-(2-methylimidazol-1-yl)imidazo[4,5-b]pyridine (CID 137404930) is 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(2-methylimidazol-1-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-(2-methylimidazol-1-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-(2-methylimidazol-1-yl)imidazo[4,5-b]pyridine is COc1ccc(C2COc3cc(Cn4cnc5cc(-n6ccnc6C)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-(2-methylimidazol-1-yl)imidazo[4,5-b]pyridine?
The InChIKey is VWCUHNBBHOQKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-16-27-6-7-32(16)19-10-20-26(29-12-19)31(15-30-20)13-17-8-21(33-2)25-22(9-17)35-14-23(36-25)18-4-5-24(34-3)28-11-18/h4-12,15,23H,13-14H2,1-3H3.
What are the key properties of 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(2-methylimidazol-1-yl)imidazo[4,5-b]pyridine?
3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(2-methylimidazol-1-yl)imidazo[4,5-b]pyridine has a molecular weight of 484.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 10 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-(2-methylimidazol-1-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 137404930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).