3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine

C26H30N6O3 — CID 118009789

IUPAC3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(N5CCN(C)CC5)cnc43)cc2OC)cn1
InChIInChI=1S/C26H30N6O3/c1-30-8-10-31(11-9-30)21-13-22-26(28-15-21)32(18-29-22)16-19-4-6-23(24(12-19)33-2)35-17-20-5-7-25(34-3)27-14-20/h4-7,12-15,18H,8-11,16-17H2,1-3H3
InChIKeyIIJKGBMUSGQZJO-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.22
Rot. Bonds8

About 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine

3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine (PubChem CID 118009789) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
PubChem CID118009789
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(N5CCN(C)CC5)cnc43)cc2OC)cn1
InChIInChI=1S/C26H30N6O3/c1-30-8-10-31(11-9-30)21-13-22-26(28-15-21)32(18-29-22)16-19-4-6-23(24(12-19)33-2)35-17-20-5-7-25(34-3)27-14-20/h4-7,12-15,18H,8-11,16-17H2,1-3H3
InChIKeyIIJKGBMUSGQZJO-UHFFFAOYSA-N
XLogP3.22
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-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-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine (CID 118009789) is 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine is COc1ccc(COc2ccc(Cn3cnc4cc(N5CCN(C)CC5)cnc43)cc2OC)cn1.
What is the InChIKey of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
The InChIKey is IIJKGBMUSGQZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-30-8-10-31(11-9-30)21-13-22-26(28-15-21)32(18-29-22)16-19-4-6-23(24(12-19)33-2)35-17-20-5-7-25(34-3)27-14-20/h4-7,12-15,18H,8-11,16-17H2,1-3H3.
What are the key properties of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine has a molecular weight of 474.57 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 118009789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).