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

C26H27N5O5 — CID 126483957

IUPAC3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(OC6CN(C)C6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C26H27N5O5/c1-30-12-19(13-30)35-18-8-20-26(28-10-18)31(15-29-20)11-16-6-21(32-2)25-22(7-16)34-14-23(36-25)17-4-5-24(33-3)27-9-17/h4-10,15,19,23H,11-14H2,1-3H3
InChIKeyYIZDTKBBJXVFTI-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.10
Rot. Bonds7

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

3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine (PubChem CID 126483957) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[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-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine
PubChem CID126483957
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(OC6CN(C)C6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C26H27N5O5/c1-30-12-19(13-30)35-18-8-20-26(28-10-18)31(15-29-20)11-16-6-21(32-2)25-22(7-16)34-14-23(36-25)17-4-5-24(33-3)27-9-17/h4-10,15,19,23H,11-14H2,1-3H3
InChIKeyYIZDTKBBJXVFTI-UHFFFAOYSA-N
XLogP3.10
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.10
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-(1-methylazetidin-3-yl)oxyimidazo[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-(1-methylazetidin-3-yl)oxyimidazo[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-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine (CID 126483957) is 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[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-(1-methylazetidin-3-yl)oxyimidazo[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-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine is COc1ccc(C2COc3cc(Cn4cnc5cc(OC6CN(C)C6)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-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine?
The InChIKey is YIZDTKBBJXVFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-30-12-19(13-30)35-18-8-20-26(28-10-18)31(15-29-20)11-16-6-21(32-2)25-22(7-16)34-14-23(36-25)17-4-5-24(33-3)27-9-17/h4-10,15,19,23H,11-14H2,1-3H3.
What are the key properties of 3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine?
3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine has a molecular weight of 489.53 g/mol, XLogP of 3.10, 7 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-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 126483957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).