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

C27H29N5O4 — CID 137405294

IUPAC3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine
SMILESCCc1ccc(C2COc3cc(Cn4cnc5cc(OC6CN(C)C6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C27H29N5O4/c1-4-19-6-5-18(10-28-19)25-15-34-24-8-17(7-23(33-3)26(24)36-25)12-32-16-30-22-9-20(11-29-27(22)32)35-21-13-31(2)14-21/h5-11,16,21,25H,4,12-15H2,1-3H3
InChIKeyMWVZCSYFBKIJRO-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.65
Rot. Bonds7

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

3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine (PubChem CID 137405294) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine
PubChem CID137405294
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine
SMILESCCc1ccc(C2COc3cc(Cn4cnc5cc(OC6CN(C)C6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C27H29N5O4/c1-4-19-6-5-18(10-28-19)25-15-34-24-8-17(7-23(33-3)26(24)36-25)12-32-16-30-22-9-20(11-29-27(22)32)35-21-13-31(2)14-21/h5-11,16,21,25H,4,12-15H2,1-3H3
InChIKeyMWVZCSYFBKIJRO-UHFFFAOYSA-N
XLogP3.65
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Related Compounds

3-[[5-methoxy-3-(6-propyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
CID 137404990
[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol
CID 137404979
6-(difluoromethyl)-3-[[(3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
CID 126484200
1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol
CID 137404996
6-methoxy-3-[[5-methoxy-3-(6-methoxy-2-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
CID 137405231
methyl 3-[[3-(6-cyclopropyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine-6-carboxylate
CID 137405049
6-methoxy-3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazo[4,5-b]pyridine
CID 137405102
formic acid;3-[(5-methoxy-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine
CID 137404879
3-[[(3S)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
CID 167140748
6-iodo-3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]imidazo[4,5-b]pyridine
CID 137405283
6-(3-methoxyazetidin-1-yl)-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 137404952
3-[(3-cyclopropyl-5-methoxy-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine
CID 137404988

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine (CID 137405294) is 3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-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-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine is CCc1ccc(C2COc3cc(Cn4cnc5cc(OC6CN(C)C6)cnc54)cc(OC)c3O2)cn1.
What is the InChIKey of 3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine?
The InChIKey is MWVZCSYFBKIJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-4-19-6-5-18(10-28-19)25-15-34-24-8-17(7-23(33-3)26(24)36-25)12-32-16-30-22-9-20(11-29-27(22)32)35-21-13-31(2)14-21/h5-11,16,21,25H,4,12-15H2,1-3H3.
What are the key properties of 3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine?
3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine has a molecular weight of 487.56 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-(1-methylazetidin-3-yl)oxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 137405294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).